Sodium 3-[({4-[(2-Chlorophenyl){3-Methyl-4-[(3-Sulfobenzyl)Amino]Phenyl}Methylene]-2-Methyl-2,5-Cyclohexadien-1-Ylidene}Amino)Methyl]Benzenesulfonate
[CAS# 5863-49-0]

Identification

• Name: Sodium 3-[({4-[(2-Chlorophenyl){3-Methyl-4-[(3-Sulfobenzyl)Amino]Phenyl}Methylene]-2-Methyl-2,5-Cyclohexadien-1-Ylidene}Amino)Methyl]Benzenesulfonate
• Synonyms: Benzenesulfonic acid, 3-[[[4-[(2-chlorophenyl)[3-methyl-4-[[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2-methyl-2,5-cyclohexadien-1-ylidene]amino]methyl]-, monosodium salt
• Molecular Formula: C₃₅H₃₀ClN₂NaO₆S₂
• Molecular Weight: 697.20
• CAS Registry Number: 5863-49-0
• SMILES: Cc1cc(ccc1NCc2cccc(c2)S(=O)(=O)O)C(=C3C=CC(=NCc4cccc(c4)S(=O)(=O)[O-])C(=C3)C)c5ccccc5Cl.[Na+]
• InChI: 1S/C35H31ClN2O6S2.Na/c1-23-17-27(13-15-33(23)37-21-25-7-5-9-29(19-25)45(39,40)41)35(31-11-3-4-12-32(31)36)28-14-16-34(24(2)18-28)38-22-26-8-6-10-30(20-26)46(42,43)44;/h3-20,37H,21-22H2,1-2H3,(H,39,40,41)(H,42,43,44);/q;+1/p-1
• InChIKey: QRWWEPUELJCELZ-UHFFFAOYSA-M