Acid Blue 13
[CAS# 5863-53-6]

Identification

• Name: Acid Blue 13
• Synonyms: Sodium 2-[(4-Dimethylaminophenyl)-(4-Dimethylazaniumylidene-1-Cyclohexa-2,5-Dienylidene)Methyl]-5-[Ethyl-(3-Sulfonatobenzyl)Amino]Benzenesulfonate; C.I. Acid Blue 13, Sodium Salt (8Ci)
• Molecular Formula: C₃₂H₃₄N₃NaO₆S₂
• Molecular Weight: 643.75
• CAS Registry Number: 5863-53-6
• EINECS: 227-515-5
• SMILES: [C+](C1=CC=C(C=C1[S](=O)(=O)[O-])N(CC2=CC(=CC=C2)[S](=O)(=O)[O-])CC)(C3=CC=C(C=C3)N(C)C)C4=CC=C(N(C)C)C=C4.[Na+]
• InChI: 1S/C32H35N3O6S2.Na/c1-6-35(22-23-8-7-9-29(20-23)42(36,37)38)28-18-19-30(31(21-28)43(39,40)41)32(24-10-14-26(15-11-24)33(2)3)25-12-16-27(17-13-25)34(4)5;/h7-21H,6,22H2,1-5H3,(H-,36,37,38,39,40,41);/q;+1/p-1
• InChIKey: WBPFVHVTNAEJCX-UHFFFAOYSA-M