Pentasodium 4-Hydroxy-7-[[4-[2-(4-Nitro-2-Sulphonatophenyl)Vinyl]-3-Sulphonatophenyl]Azo]-3-[[2-Sulphonato-4-[(4-Sulphonatophenyl)Azo]Phenyl]Azo]Naphthalene-2-Sulphonate
[CAS# 94713-29-8]

Identification

• Name: Pentasodium 4-Hydroxy-7-[[4-[2-(4-Nitro-2-Sulphonatophenyl)Vinyl]-3-Sulphonatophenyl]Azo]-3-[[2-Sulphonato-4-[(4-Sulphonatophenyl)Azo]Phenyl]Azo]Naphthalene-2-Sulphonate
• Synonyms: Pentasodium (3E)-7-[4-[(E)-2-(4-Nitro-2-Sulfonato-Phenyl)Vinyl]-3-Sulfonato-Phenyl]Azo-4-Oxo-3-[[2-Sulfonato-4-(4-Sulfonatophenyl)Azo-Phenyl]Hydrazono]Naphthalene-2-Sulfonate; Pentasodium (3E)-7-[4-[(E)-2-(4-Nitro-2-Sulfonatophenyl)Vinyl]-3-Sulfonatophenyl
• Molecular Formula: C₃₆H₂₀N₇Na₅O₁₈S₅
• Molecular Weight: 1113.84
• CAS Registry Number: 94713-29-8
• EINECS: 305-573-3
• SMILES: C3=C(N=NC2=CC(=C(\C=C\C1=C([S]([O-])(=O)=O)C=C([N+]([O-])=O)C=C1)C=C2)[S]([O-])(=O)=O)C=CC6=C3C=C([S]([O-])(=O)=O)/C(=N/NC5=C([S]([O-])(=O)=O)C=C(N=NC4=CC=C([S]([O-])(=O)=O)C=C4)C=C5)C6=O.[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C36H25N7O18S5.5Na/c44-36-29-13-8-24(38-40-25-5-3-20(31(17-25)63(50,51)52)1-2-21-4-10-27(43(45)46)19-32(21)64(53,54)55)15-22(29)16-34(66(59,60)61)35(36)42-41-30-14-9-26(18-33(30)65(56,57)58)39-37-23-6-11-28(12-7-23)62(47,48)49;;;;;/h1-19,41H,(H,47,48,49
• InChIKey: LUUNFHHDBYQYBU-AWJMQZPXSA-I