Direct Black 49
[CAS# 6473-15-0]

Identification

• Name: Direct Black 49
• Synonyms: Trisodium (3Z)-3-[[4-[(N'z)-N'-[7-[(N'e)-N'-(6-Amino-1-Oxo-3-Sulfonato-2-Naphthylidene)Hydrazino]-1-Oxo-3-Sulfonato-2-Naphthylidene]Hydrazino]-1-Naphthyl]Hydrazono]-6-Oxo-Cyclohexa-1,4-Diene-1-Carboxylate; Trisodium (3Z)-3-[[4-[(N'z)-N'-[7-[(N'e)-N'-(6-Amino-1-Oxo-3-Sulfonato-2-Naphthylidene)Hydrazino]-1-Oxo-3-Sulfonato-2-Naphthylidene]Hydrazino]-1-Naphthyl]Hydrazono]-6-Oxo-1-Cyclohexa-1,4-Dienecarboxylate; Trisodium (3Z)-3-[[4-[(N'z)-N'-[7-[(N'e)-N'-(6-Amino-1-Keto-3-Sulfonato-2-Naphthylidene)Hydrazino]-1-Keto-3-Sulfonato-2-Naphthylidene]Hydrazino]-1-Naphthyl]Hydrazono]-6-Keto-Cyclohexa-1,4-Diene-1-Carboxylate
• Molecular Formula: C₃₇H₂₂N₇Na₃O₁₁S₂
• Molecular Weight: 873.71
• CAS Registry Number: 6473-15-0
• EINECS: 229-327-9
• SMILES: C3=C(N\N=C1\C(=CC2=C(C1=O)C=CC(=C2)N)[S]([O-])(=O)=O)C=CC7=C3C(=O)C(=N/NC5=CC=C(N\N=C4/C=C(C(=O)C=C4)C([O-])=O)C6=CC=CC=C56)/C(=C7)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C37H25N7O11S2.3Na/c38-20-6-9-23-19(13-20)15-32(57(53,54)55)33(35(23)46)43-40-21-7-5-18-14-31(56(50,51)52)34(36(47)26(18)16-21)44-42-29-11-10-28(24-3-1-2-4-25(24)29)41-39-22-8-12-30(45)27(17-22)37(48)49;;;/h1-17,40-42H,38H2,(H,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3/b39-22-,43-33-,44-34+
• InChIKey: XBMXZFXGJOBNOJ-JCRYCNJLSA-K