5-[(4'-{[6-Amino-5-(1H-benzotriazol-4-yldiazenyl)-1-hydroxy-3-sulfo-2-naphthyl]diazenyl}-3,3'-dimethoxy-4-biphenylyl)diazenyl]-2-hydroxy-4-methylbenzoic acid
[CAS# 85136-01-2]

Identification

• Name: 5-[(4'-{[6-Amino-5-(1H-benzotriazol-4-yldiazenyl)-1-hydroxy-3-sulfo-2-naphthyl]diazenyl}-3,3'-dimethoxy-4-biphenylyl)diazenyl]-2-hydroxy-4-methylbenzoic acid
• Synonyms: 5-[[4'-[[6-amino-5-(1H-benzotriazol-4-ylazo)-1-hydroxy-3-sulpho-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-4-methylbenzoic acid
• Molecular Formula: C₃₈H₃₀N₁₀O₉S
• Molecular Weight: 802.77
• CAS Registry Number: 85136-01-2
• EINECS: 285-723-1
• SMILES: OC(=O)c7cc(N=Nc1ccc(cc1OC)c6ccc(N=Nc5c(cc4c(ccc(N)c4N=Nc3cccc2nnnc23)c5O)S(O)(=O)=O)c(OC)c6)c(C)cc7O
• InChI: 1S/C38H30N10O9S/c1-18-13-30(49)23(38(51)52)16-29(18)43-40-25-11-7-19(14-31(25)56-2)20-8-12-26(32(15-20)57-3)41-46-36-33(58(53,54)55)17-22-21(37(36)50)9-10-24(39)34(22)45-42-27-5-4-6-28-35(27)47-48-44-28/h4-17,49-50H,39H2,1-3H3,(H,51,52)(H,44,47,48)(H,53,54,55)
• InChIKey: WEYVVYDDRJQUBF-UHFFFAOYSA-N

Properties

• Density: 1.61g/cm³ (Cal.)