Trisodium 4-Hydroxy-5-[[4-[[1-Hydroxy-6-(Phenylamino)-3-Sulphonato-2-Naphthyl]Azo]-5-Methoxy-2-Methylphenyl]Azo]Naphthalene-2,7-Disulphonate
[CAS# 3354-97-0]

Identification

• Name: Trisodium 4-Hydroxy-5-[[4-[[1-Hydroxy-6-(Phenylamino)-3-Sulphonato-2-Naphthyl]Azo]-5-Methoxy-2-Methylphenyl]Azo]Naphthalene-2,7-Disulphonate
• Synonyms: Trisodium 4-Hydroxy-5-[5-Methoxy-2-Methyl-4-[(N'e)-N'-[1-Oxo-6-(Phenylamino)-3-Sulfonato-2-Naphthylidene]Hydrazino]Phenyl]Azo-Naphthalene-2,7-Disulfonate; Trisodium 4-Hydroxy-5-[5-Methoxy-2-Methyl-4-[(N'e)-N'-[1-Oxo-6-(Phenylamino)-3-Sulfonato-2-Naphthylidene]Hydrazino]Phenyl]Azonaphthalene-2,7-Disulfonate; Trisodium 4-Hydroxy-5-[4-[(N'e)-N'-[1-Keto-6-(Phenylamino)-3-Sulfonato-2-Naphthylidene]Hydrazino]-5-Methoxy-2-Methyl-Phenyl]Azo-Naphthalene-2,7-Disulfonate
• Molecular Formula: C₃₄H₂₄N₅Na₃O₁₂S₃
• Molecular Weight: 859.74
• CAS Registry Number: 3354-97-0
• EINECS: 222-125-1
• SMILES: C5=C6C(=C(N=NC4=CC(=C(N\N=C1\C(=CC2=C(C1=O)C=CC(=C2)NC3=CC=CC=C3)[S]([O-])(=O)=O)C=C4C)OC)C=C5[S]([O-])(=O)=O)C(=CC(=C6)[S]([O-])(=O)=O)O.[Na+].[Na+].[Na+]
• InChI: 1S/C34H27N5O12S3.3Na/c1-18-10-27(37-39-33-31(54(48,49)50)14-19-11-22(8-9-25(19)34(33)41)35-21-6-4-3-5-7-21)30(51-2)17-26(18)36-38-28-15-23(52(42,43)44)12-20-13-24(53(45,46)47)16-29(40)32(20)28;;;/h3-17,35,37,40H,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3/b38-36?,39-33-
• InChIKey: DXRMUSOPEOLTCV-PSIQASNTSA-K