Disodium 3,3'-[Sulphonylbis[(2-Nitro-P-Phenylene)Imino]]Bis[6-Anilinobenzenesulphonate]
[CAS# 6373-79-1]

Identification

• Name: Disodium 3,3'-[Sulphonylbis[(2-Nitro-P-Phenylene)Imino]]Bis[6-Anilinobenzenesulphonate]
• Synonyms: Disodium 5-[[2-Nitro-4-[3-Nitro-4-[[4-(Phenylamino)-3-Sulfonato-Phenyl]Amino]Phenyl]Sulfonyl-Phenyl]Amino]-2-(Phenylamino)Benzenesulfonate; C.I. Acid Brown 13; Disodium 3,3'-(Sulphonylbis((2-Nitro-P-Phenylene)Imino))Bis(6-Anilinobenzenesulphonate)
• Molecular Formula: C₃₆H₂₆N₆Na₂O₁₂S₃
• Molecular Weight: 876.79
• CAS Registry Number: 6373-79-1
• EINECS: 228-922-0
• SMILES: C1=C(C(=CC(=C1)NC2=CC=C(C=C2[N+](=O)[O-])[S](C3=CC=C(C(=C3)[N+](=O)[O-])NC4=CC=C(C(=C4)[S](=O)(=O)[O-])NC5=CC=CC=C5)(=O)=O)[S](=O)(=O)[O-])NC6=CC=CC=C6.[Na+].[Na+]
• InChI: 1S/C36H28N6O12S3.2Na/c43-41(44)33-21-27(13-17-29(33)39-25-11-15-31(35(19-25)56(49,50)51)37-23-7-3-1-4-8-23)55(47,48)28-14-18-30(34(22-28)42(45)46)40-26-12-16-32(36(20-26)57(52,53)54)38-24-9-5-2-6-10-24;;/h1-22,37-40H,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2
• InChIKey: UFCUKOZJEBIMQY-UHFFFAOYSA-L