5-[(3-Carboxy-5-Methyl-4-Oxo-2,5-Cyclohexadien-1-Ylidene)(2,6-Dichlorosulphophenyl)Methyl]-3-Methylsalicylic Acid
[CAS# 94086-53-0]

Identification

• Name: 5-[(3-Carboxy-5-Methyl-4-Oxo-2,5-Cyclohexadien-1-Ylidene)(2,6-Dichlorosulphophenyl)Methyl]-3-Methylsalicylic Acid
• Synonyms: 5-[(Z)-(3-Carboxy-5-Methyl-4-Oxo-1-Cyclohexa-2,5-Dienylidene)-(2,6-Dichloro-3-Sulfo-Phenyl)Methyl]-2-Hydroxy-3-Methyl-Benzoic Acid; 5-[(Z)-(3-Carboxy-4-Keto-5-Methyl-1-Cyclohexa-2,5-Dienylidene)-(2,6-Dichloro-3-Sulfo-Phenyl)Methyl]-2-Hydroxy-3-Methyl-Benzo
• Molecular Formula: C₂₃H₁₆Cl₂O₉S
• Molecular Weight: 539.34
• CAS Registry Number: 94086-53-0
• EINECS: 301-841-9
• SMILES: C3=C(C(/C1=C(Cl)C(=CC=C1Cl)[S](=O)(=O)O)=C2/C=C(C(=O)C(=C2)C)C(=O)O)C=C(C(=C3C(=O)O)O)C
• InChI: 1S/C23H16Cl2O9S/c1-9-5-11(7-13(20(9)26)22(28)29)17(12-6-10(2)21(27)14(8-12)23(30)31)18-15(24)3-4-16(19(18)25)35(32,33)34/h3-8,26H,1-2H3,(H,28,29)(H,30,31)(H,32,33,34)/b17-12-
• InChIKey: GNKCWVPIWVNYKN-ATVHPVEESA-N

Properties

• Density: 1.655g/cm³ (Cal.)