Tetrasodium 2-[(4-{[4-({7-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)-2,5-dimethoxyphenyl]diazenyl}-6-sulfonato-1-naphthyl)diazenyl]-1,4-benzenedisulfonate
[CAS# 72245-47-7]

Identification

• Name: Tetrasodium 2-[(4-{[4-({7-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)-2,5-dimethoxyphenyl]diazenyl}-6-sulfonato-1-naphthyl)diazenyl]-1,4-benzenedisulfonate
• Synonyms: 1,4-Benzenedisulfonic acid, 2-[[4-[[4-[[7-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-2,5-dimethoxyphenyl]azo]-6-sulfo-1-naphthalenyl]azo]-, tetrasodium salt
• Molecular Formula: C₄₁H₂₈N₈Na₄O₁₆S₄
• Molecular Weight: 1108.92
• CAS Registry Number: 72245-47-7
• SMILES: COc1cc(c(cc1N=Nc2ccc(c3c2cc(cc3)S(=O)(=O)[O-])N=Nc4cc(ccc4S(=O)(=O)[O-])S(=O)(=O)[O-])OC)N=Nc5c(cc6ccc(cc6c5O)NC(=O)c7ccc(cc7)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C41H32N8O16S4.4Na/c1-64-35-20-33(47-49-39-38(69(61,62)63)15-22-5-8-24(16-28(22)40(39)50)43-41(51)21-3-6-23(42)7-4-21)36(65-2)19-32(35)46-45-31-13-12-30(27-11-9-25(17-29(27)31)66(52,53)54)44-48-34-18-26(67(55,56)57)10-14-37(34)68(58,59)60;;;;/h3-20,50H,42H2,1-2H3,(H,43,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63);;;;/q;4*+1/p-4
• InChIKey: OBSBYAISAHVHPR-UHFFFAOYSA-J