Primary Record
Methylthymol blue
- In stock
- 8,362 g
- Purity
- 99.0 %
- CAS
- 1945-77-3
Compound Identifiers & Properties
- CAS
- 1945-77-3
- PubChem CID
- 126963593
- SMILES
- CC1C(C(=O)C(CC1=C(C2=CC=CC=C2S(=O)(=O)[O-])C3=C(C(=C(C(=C3)C(C)C)O)CN(CC(=O)O)CC(=O)[O-])C)C(C)C)CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
- Canonical SMILES
- Cc1c(C(=C2CC(C(C)C)C(=O)C(CN(CC(=O)[O-])CC(=O)[O-])C2C)c2ccccc2S(=O)(=O)[O-])cc(C(C)C)c(O)c1CN(CC(=O)[O-])CC(=O)O.[Na+].[Na+].[Na+].[Na+]
Names & Synonyms
- Methylthymol blue
- Methylthymol Blue sodium salt
- orb1944969
- KS-00000ZNA
- AKOS030228334
- 1945-77-3
- tetrasodium 2-[(carboxylatomethyl)({3-[(3-{[(carboxylatomethyl)(carboxymethyl)amino]methyl}-4-hydroxy-5-isopropyl-2-methylphenyl)(2-sulfonatophenyl)methylidene]-5-isopropyl-2-methyl-6-oxocyclohexyl}methyl)amino]acetate
- Tetrasodium;2-[carboxylatomethyl-[[3-[[3-[[carboxylatomethyl(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-(2-sulfonatophenyl)methylidene]-2-methyl-6-oxo-5-propan-2-ylcyclohexyl]methyl]amino]acetate