4,4'-[({4-[(4-Sulfophenyl)imino]-2,5-cyclohexadien-1-ylidene}methylene)bis(4,1-phenyleneimino)]dibenzenesulfonic acid
[CAS# 8004-91-9]

Identification

• Name: 4,4'-[({4-[(4-Sulfophenyl)imino]-2,5-cyclohexadien-1-ylidene}methylene)bis(4,1-phenyleneimino)]dibenzenesulfonic acid
• Synonyms: Aniline blue; Cotton Blue; Ink Blue
• Molecular Formula: C₃₇H₂₉N₃O₉S₃
• Molecular Weight: 755.84
• CAS Registry Number: 8004-91-9
• SMILES: O=S(=O)(O)c1ccc(cc1)Nc2ccc(cc2)/C(=C\4/C=C\C(=N/c3ccc(cc3)S(=O)(=O)O)/C=C/4)c6ccc(Nc5ccc(cc5)S(=O)(=O)O)cc6
• InChI: 1S/C37H29N3O9S3/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49/h1-24,38-39H,(H,41,42,43)(H,44,45,46)(H,47,48,49)
• InChIKey: RFKJHQXSLBUONF-UHFFFAOYSA-N

Properties

• Density: 1.447g/cm³ (Cal.)