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Substance Name: 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
RN: 85136-01-2
InChIKey: WEYVVYDDRJQUBF-KQVZXXMOSA-N

Molecular Formula

  • C38-H30-N10-O9-S

Molecular Weight

  • 802.782
 
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Names and Synonyms

Synonym

  • EINECS 285-723-1

Systematic Name

  • 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

Registry Numbers

CAS Registry Number

  • 85136-01-2

System Generated Number

  • 0085136012

Structure Descriptors

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)/b43-40+,45-42+,46-41+

InChIKey

WEYVVYDDRJQUBF-KQVZXXMOSA-N

Smiles

c1(S(=O)(=O)O)c(/N=N/c2c(cc(c3cc(c(/N=N/c4cc(c(cc4C)O)C(=O)O)cc3)OC)cc2)OC)c(c2c(c(/N=N/c3c4nn[nH]c4ccc3)c(cc2)N)c1)O