Chemical Compound
alpha,alpha ,alpha ,alpha ,alpha ,alpha ,alpha ,alpha-[[1,3 -(2-Carboxyethylmethylene)-1 ,3 -(2-carboxyethylmethylene)-1 ,3 -(2-carboxyethylmethylene)-1 ,3-(2-carboxyethylmethylene)tetrakisbenzene]-4,6 ,4 ,6 ,4 ,6 ,4 ,6-octayloctakisoxy]-3,5 -(5-carboxy-1,3-phenylenebisoxy)-3 ,5 -(5-carboxy-1,3-phenylenebisoxy)-3 ,5 -(5-carboxy-1,3-phenylenebisoxy)-3 ,5-(5-carboxy-1,3-phenylenebisoxy)tetrakistoluene
Primary record
alpha,alpha ,alpha ,alpha ,alpha ,alpha ,alpha ,alpha-[[1,3 -(2-Carboxyethylmethylene)-1 ,3 -(2-carboxyethylmethylene)-1 ,3 -(2-carboxyethylmethylene)-1 ,3-(2-carboxyethylmethylene)tetrakisbenzene]-4,6 ,4 ,6 ,4 ,6 ,4 ,6-octayloctakisoxy]-3,5 -(5-carboxy-1,3-phenylenebisoxy)-3 ,5 -(5-carboxy-1,3-phenylenebisoxy)-3 ,5 -(5-carboxy-1,3-phenylenebisoxy)-3 ,5-(5-carboxy-1,3-phenylenebisoxy)tetrakistoluene
- 库存
- 550 克
- 纯度
- 98.1 %
化合物标识与属性
- PubChem CID
- 23730644
- SMILES
- C1=C2C=C3C=C1OC4=CC(=CC(=C4)C(=O)O)OC5=CC6=CC(=C5)C7OC8=CC9=C1C=C8C(C4=C(O7)C=C5C(=C4)C(C4=CC7=C(C=C4OC2O5)OC2C4=CC(=CC(=C4)OC4=CC(=CC(=C4)C(=O)O)OC4=CC(=CC(=C4)OC4=CC(=CC(=C4)O6)C(=O)O)C(O9)OC4=C(C1CCC(=O)O)C=C(C7CCC(=O)O)C(=C4)O2)OC1=CC(=CC(=C1)O3)C(=O)O)CCC(=O)O)CCC(=O)O
- Canonical SMILES
- O=C(O)CCC1c2cc3c4cc2OC2Oc5cc6c(cc51)C(CCC(=O)O)c1cc5c7cc1OC(O6)c1cc6cc(c1)Oc1cc(cc(C(=O)O)c1)Oc1cc8cc(c1)C(Oc1cc(c(cc1C5CCC(=O)O)C3CCC(=O)O)OC(O4)c1cc(cc(c1)Oc1cc(cc(C(=O)O)c1)O8)Oc1cc(cc(C(=O)O)c1)Oc1cc(cc2c1)Oc1cc(cc(C(=O)O)c1)O6)O7
名称与同义词
- Octa acid cavitand
- Octa-acid
- SAMPL4, OA
- SCHEMBL29449515
- SCHEMBL29449517
- BDBM197287
- J2.094.513C
- J3.072.552B
- 1,1 ,1 ,1 -[2,8,14,20-Tetrakis(3-oxo-3-hydroxypropyl)-4,24:6,10:12,16:18,22-tetrakis(epoxymethanoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-30,33,36,39-tetrayl]-3,5 -[5-(hydroxycarbonyl)-1,3-phenylenebisoxy]-3 ,5 -[5-(hydroxycarbonyl)-1,3-phenylenebisoxy]-3 ,5 -[5-(hydroxycarbonyl)-1,3-phenylenebisoxy]-3 ,5-[5-(hydroxycarbonyl)-1,3-phenylenebisoxy]tetrabenzene
- 1,1 ,1 ,1 -[2alpha,8alpha,14alpha,20alpha-Tetrakis(3-oxo-3-hydroxypropyl)-4,24:6,10:12,16:18,22-tetrakis(epoxymethanoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-30,33,36,39-tetrayl]-3,5 -[5-(hydroxycarbonyl)-1,3-phenylenebisoxy]-3 ,5 -[5-(hydroxycarbonyl)-1,3-phenylenebisoxy]-3 ,5 -[5-(hydroxycarbonyl)-1,3-phenylenebisoxy]-3 ,5-[5-(hydroxycarbonyl)-1,3-phenylenebisoxy]tetrabenzene
- 1,3 -(5-Carboxy-1,3-phenylenebisoxy)-1 ,3 -(5-carboxy-1,3-phenylenebisoxy)-1 ,3 -(5-carboxy-1,3-phenylenebisoxy)-1 ,3-(5-carboxy-1,3-phenylenebisoxy)-5,5 ,5 ,5 -[2,8,14,20-tetrakis(3-oxo-3-hydroxypropyl)-4,24:6,10:12,16:18,22-tetrakis(epoxymethanoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene-30,33,36,39-tetrayl]tetrabenzene
- 11,23,35,47-[2alpha,8alpha,14alpha,20alpha-Tetrakis(3-oxo-3-hydroxypropyl)-4,24:6,10:12,16:18,22-tetra(epoxymethanoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene-30,33,36,39-tetryl](2,8,14,20,26,32,38,44-octoxanonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosene-5,17,29,41-tetracarboxylic acid)
- 24,4,6,10,12,16,18,22-[[3,5 -(5-Carboxy-1,3-phenylenebisoxy)-3 ,5 -(5-carboxy-1,3-phenylenebisoxy)-3 ,5 -(5-carboxy-1,3-phenylenebisoxy)-3 ,5-(5-carboxy-1,3-phenylenebisoxy)tetrakistoluene]-alpha,alpha,alpha ,alpha ,alpha ,alpha ,alpha ,alpha -octayloctakisoxy]-2,8,14,20-tetrakis(2-carboxyethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene
- 24,4,6,10,12,16,18,22-[[3,5 -(5-Carboxy-1,3-phenylenebisoxy)-3 ,5 -(5-carboxy-1,3-phenylenebisoxy)-3 ,5 -(5-carboxy-1,3-phenylenebisoxy)-3 ,5-(5-carboxy-1,3-phenylenebisoxy)tetratoluene]-alpha,alpha,alpha ,alpha ,alpha ,alpha ,alpha ,alpha -octyloctakisoxy]-2,8,14,20-tetrakis(2-carboxyethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene
- 3,11,19,27-[11,23,35,47-Tetracarboxy-2,8,14,20,26,32,38,44-octaoxanonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosene-5,17,29,41-tetrayl]-2,4,10,12,18,20,26,28-octaoxanonacyclo[27.3.1.15,9.16,32.18,14.113,17.116,22.121,25.124,30]tetracontane-1(33),5(40),6,8,13(38),14,16,21(36),22,24,29,31-dodecene-34,35,37,39-tetrakispropanoic acid
- 30,33,36,39-(10,22,34,46-Tetracarboxy-2,6:8,12:14,18:20,24:26,30:32,36:38,42:44,48-octametheno-1,7,13,19,25,31,37,43-octaoxacyclooctateraconta-2,4,8,10,14,16,20,22,26,28,32,34,38,40,44,46-hexadecene-4,16,28,40-tetrayl)-4,24:6,10:12,16:18,22-tetrakis(epoxymethanoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene-2,8,14,20-tetrapropanoic acid
- 5,5 ,5 ,5 -[2,8,14,20-Tetrakis(3-oxo-3-hydroxypropyl)-4,24:6,10:12,16:18,22-tetrakis(epoxymethanoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-30,33,36,39-tetrayl][1,3 -(5-carboxy-1,3-phenylenebisoxy)-1 ,3 -(5-carboxy-1,3-phenylenebisoxy)-1 ,3 -(5-carboxy-1,3-phenylenebisoxy)-1 ,3-(5-carboxy-1,3-phenylenebisoxy)tetrabenzene]
- alpha,alpha ,alpha ,alpha ,alpha ,alpha ,alpha ,alpha-[[1,3 -(2-Carboxyethylmethylene)-1 ,3 -(2-carboxyethylmethylene)-1 ,3 -(2-carboxyethylmethylene)-1 ,3-(2-carboxyethylmethylene)tetrakisbenzene]-4,6 ,4 ,6 ,4 ,6 ,4 ,6-octayloctakisoxy]-3,5 -(5-carboxy-1,3-phenylenebisoxy)-3 ,5 -(5-carboxy-1,3-phenylenebisoxy)-3 ,5 -(5-carboxy-1,3-phenylenebisoxy)-3 ,5-(5-carboxy-1,3-phenylenebisoxy)tetrakistoluene