Chemical Compound

8,9,33,34,58,59-hexathia-85,86,87,88,100,101,113,114,117,118,119,120-dodecaazadocosacyclo[64.9.9.916,26.941,51.12,6.111,15.117,20.122,25.127,31.136,40.142,45.147,50.152,56.161,65.167,70.172,75.176,79.181,84.191,94.196,99.1104,107.1109,112]120nea-1(75),2,4,6(116),11,13,15(115),16,18,20,22(113),23,25,27,29,31(103),36,38,40(102),41,43,45,47(100),48,50,52,54,56(90),61,63,65(89),66,68,70,72(87),73,76,78,80,82,84,91,93,95,97,99(119),104,106,108,110,112(117)-henpentacontaene

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8,9,33,34,58,59-hexathia-85,86,87,88,100,101,113,114,117,118,119,120-dodecaazadocosacyclo[64.9.9.916,26.941,51.12,6.111,15.117,20.122,25.127,31.136,40.142,45.147,50.152,56.161,65.167,70.172,75.176,79.181,84.191,94.196,99.1104,107.1109,112]120nea-1(75),2,4,6(116),11,13,15(115),16,18,20,22(113),23,25,27,29,31(103),36,38,40(102),41,43,45,47(100),48,50,52,54,56(90),61,63,65(89),66,68,70,72(87),73,76,78,80,82,84,91,93,95,97,99(119),104,106,108,110,112(117)-henpentacontaene 结构式
Primary record

8,9,33,34,58,59-hexathia-85,86,87,88,100,101,113,114,117,118,119,120-dodecaazadocosacyclo[64.9.9.916,26.941,51.12,6.111,15.117,20.122,25.127,31.136,40.142,45.147,50.152,56.161,65.167,70.172,75.176,79.181,84.191,94.196,99.1104,107.1109,112]120nea-1(75),2,4,6(116),11,13,15(115),16,18,20,22(113),23,25,27,29,31(103),36,38,40(102),41,43,45,47(100),48,50,52,54,56(90),61,63,65(89),66,68,70,72(87),73,76,78,80,82,84,91,93,95,97,99(119),104,106,108,110,112(117)-henpentacontaene

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101737709
SMILES
C1C2=CC(=CC=C2)C3=C4C=CC(=CC5=NC(=C(C6=CC=CC(=C6)CSSCC7=CC(=CC=C7)C8=C9C=CC(=CC2=NC(=C(C6=CC=CC(=C6)CSSCC6=CC(=CC=C6)C6=C7C=CC(=N7)C=C7C=CC(=C(C%10=NC(=CC%11=CC=C6N%11)C=C%10)C6=CC=CC(=C6)CSS1)N7)C1=CC=C(N1)C=C1C=CC8=N1)C=C2)N9)C1=CC=C(N1)C=C1C=CC3=N1)C=C5)N4
Canonical SMILES
C1=Cc2nc1cc1ccc([nH]1)c1c3nc(cc4ccc([nH]4)c2-c2cccc(c2)CSSCc2cccc(c2)-c2c4nc(cc5ccc([nH]5)c(c5nc(cc6ccc2[nH]6)C=C5)-c2cccc(c2)CSSCc2cccc(c2)-c2c5nc(cc6ccc([nH]6)c(c6nc(cc7ccc2[nH]7)C=C6)-c2cccc(c2)CSSCc2cccc-1c2)C=C5)C=C4)C=C3

名称与同义词

  • J2.061.310F
  • 5,15 -[Dithiobis[methylene(1,3-phenylene)]]-5 ,15-[dithiobis[methylene(1,3-phenylene)]]-5 ,15 -[dithiobis[methylene(1,3-phenylene)]]tris(21H,23H-porphyrin)
  • 8,9,33,34,58,59-hexathia-85,86,87,88,100,101,113,114,117,118,119,120-dodecaazadocosacyclo[64.9.9.916,26.941,51.12,6.111,15.117,20.122,25.127,31.136,40.142,45.147,50.152,56.161,65.167,70.172,75.176,79.181,84.191,94.196,99.1104,107.1109,112]120nea-1(75),2,4,6(116),11,13,15(115),16,18,20,22(113),23,25,27,29,31(103),36,38,40(102),41,43,45,47(100),48,50,52,54,56(90),61,63,65(89),66,68,70,72(87),73,76,78,80,82,84,91,93,95,97,99(119),104,106,108,110,112(117)-henpentacontaene