Disodium 3-Chloro-4-({3-Methyl-4-[(3-Sulfobenzyl)Imino]-2,5-Cyclohexadien-1-Ylidene}{3-Methyl-4-[(3-Sulfonatobenzyl)Amino]Phenyl}Methyl)Benzenesulfonate
[CAS# 5844-09-7]

Identification

• Name: Disodium 3-Chloro-4-({3-Methyl-4-[(3-Sulfobenzyl)Imino]-2,5-Cyclohexadien-1-Ylidene}{3-Methyl-4-[(3-Sulfonatobenzyl)Amino]Phenyl}Methyl)Benzenesulfonate
• Synonyms: 9/7/5844; Benzenesulfonic acid, 3-chloro-4-[[3-methyl-4-[[(3-sulfophenyl)methyl]amino]phenyl][3-methyl-4-[[(3-sulfophenyl)methyl]imino]-2,5-cyclohexadien-1-ylidene]methyl]-, disodium salt
• Molecular Formula: C₃₅H₂₉ClN₂Na₂O₉S₃
• Molecular Weight: 799.24
• CAS Registry Number: 5844-09-7
• SMILES: Cc1cc(ccc1NCc2cccc(c2)S(=O)(=O)[O-])C(=C3C=CC(=NCc4cccc(c4)S(=O)(=O)O)C(=C3)C)c5ccc(cc5Cl)S(=O)(=O)[O-].[Na+].[Na+]
• InChI: 1S/C35H31ClN2O9S3.2Na/c1-22-15-26(9-13-33(22)37-20-24-5-3-7-28(17-24)48(39,40)41)35(31-12-11-30(19-32(31)36)50(45,46)47)27-10-14-34(23(2)16-27)38-21-25-6-4-8-29(18-25)49(42,43)44;;/h3-19,37H,20-21H2,1-2H3,(H,39,40,41)(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2
• InChIKey: KERXREYENHQFOW-UHFFFAOYSA-L