Heptasodium 3-{[4-(2-{4-[(8-acetamido-1-hydroxy-3,6-disulfonato-2-naphthyl)diazenyl]-2-sulfonatophenyl}vinyl)-3-sulfonatophenyl]diazenyl}-5-amino-4-hydroxy-6-[(4-sulfonatophenyl)diazenyl]-2,7-naphthal enedisulfonate
[CAS# 85118-36-1]

Identification

• Name: Heptasodium 3-{[4-(2-{4-[(8-acetamido-1-hydroxy-3,6-disulfonato-2-naphthyl)diazenyl]-2-sulfonatophenyl}vinyl)-3-sulfonatophenyl]diazenyl}-5-amino-4-hydroxy-6-[(4-sulfonatophenyl)diazenyl]-2,7-naphthal enedisulfonate
• Synonyms: 2,7-Naphthalenedisulfonic acid, 3-[[4-[2-[4-[[8-(acetylamino)-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-2-sulfophenyl]ethenyl]-3-sulfophenyl]azo]-5-amino-4-hydroxy-6-[(4-sulfophenyl)azo]-, heptasodium salt
• Molecular Formula: C₄₂H₂₅N₈Na₇O₂₄S₇
• Molecular Weight: 1411.07
• CAS Registry Number: 85118-36-1
• EINECS: 285-690-3
• SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7cc1cc(cc(NC(C)=O)c1c(O)c7N=Nc6ccc(C=Cc2ccc(cc2S([O-])(=O)=O)N=Nc5c(cc4cc(c(N=Nc3ccc(cc3)S([O-])(=O)=O)c(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(c6)S([O-])(=O)=O)S([O-])(=O)=O
• InChI: 1S/C42H32N8O24S7.7Na/c1-19(51)44-29-18-28(76(57,58)59)12-22-13-33(80(69,70)71)39(41(52)35(22)29)49-46-25-6-4-20(30(16-25)77(60,61)62)2-3-21-5-7-26(17-31(21)78(63,64)65)47-50-40-34(81(72,73)74)15-23-14-32(79(66,67)68)38(37(43)36(23)42(40)53)48-45-24-8-10-27(11-9-24)75(54,55)56;;;;;;;/h2-18,52-53H,43H2,1H3,(H,44,51)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74);;;;;;;/q;7*+1/p-7
• InChIKey: AYDSAKUXHSNAJC-UHFFFAOYSA-G