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Substance Name: 4-((6-((N-(6-((4-Carboxy-2-methoxyphenyl)diazenyl)-5-hydroxy-7-sulfo(2-naphthyl)}carbamoyl)amino)-1-hydroxy-3-sulfo(2-naphthyl)}diazenyl)-3-methoxybenzoic acid
RN: 215785-87-8
InChIKey: OTVBRLCSLZKGAQ-SVFZKJKBSA-N

Molecular Formula

  • C37-H28-N6-O15-S2

Molecular Weight

  • 860.7872
 
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Names and Synonyms

  • 4-((6-((N-(6-((4-Carboxy-2-methoxyphenyl)diazenyl)-5-hydroxy-7-sulfo(2-naphthyl)}carbamoyl)amino)-1-hydroxy-3-sulfo(2-naphthyl)}diazenyl)-3-methoxybenzoic acid

Registry Numbers

CAS Registry Number

  • 215785-87-8

System Generated Number

  • 0215785878

Structure Descriptors

InChI

1S/C37H28N6O15S2/c1-57-27-13-17(35(46)47)3-9-25(27)40-42-31-29(59(51,52)53)15-19-11-21(5-7-23(19)33(31)44)38-37(50)39-22-6-8-24-20(12-22)16-30(60(54,55)56)32(34(24)45)43-41-26-10-4-18(36(48)49)14-28(26)58-2/h3-16,40-41H,1-2H3,(H,46,47)(H,48,49)(H2,38,39,50)(H,51,52,53)(H,54,55,56)/b42-31-,43-32-

InChIKey

OTVBRLCSLZKGAQ-SVFZKJKBSA-N

Smiles

COc1cc(ccc1N\N=C\2/C(=O)c3ccc(NC(=O)Nc4ccc5C(=O)\C(=N/Nc6ccc(cc6OC)C(=O)O)\C(=Cc5c4)S(=O)(=O)O)cc3C=C2S(=O)(=O)O)C(=O)O