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Substance Name: 3-((4-((8-(Benzoylamino)-1-hydroxy-3,6-disulpho-2-naphthyl)azo)-2,5-dimethoxyphenyl)azo)-4-hydroxy-5-((4-(methylsulphonyl)benzoyl)amino)naphthalene-2,7-disulphonic acid
RN: 31675-93-1
InChIKey: OTAVFSUYDCNWOO-ROHDNENLSA-N

Molecular Formula

  • C43-H34-N6-O20-S5

Molecular Weight

  • 1115.0936
 
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Names and Synonyms

Synonym

  • EINECS 250-757-8

Systematic Name

  • 3-((4-((8-(Benzoylamino)-1-hydroxy-3,6-disulpho-2-naphthyl)azo)-2,5-dimethoxyphenyl)azo)-4-hydroxy-5-((4-(methylsulphonyl)benzoyl)amino)naphthalene-2,7-disulphonic acid

Registry Numbers

CAS Registry Number

  • 31675-93-1

System Generated Number

  • 0031675931

Structure Descriptors

InChI

1S/C43H34N6O20S5/c1-68-32-20-29(47-49-39-35(74(65,66)67)16-24-14-27(72(59,60)61)18-31(37(24)41(39)51)45-43(53)22-9-11-25(12-10-22)70(3,54)55)33(69-2)19-28(32)46-48-38-34(73(62,63)64)15-23-13-26(71(56,57)58)17-30(36(23)40(38)50)44-42(52)21-7-5-4-6-8-21/h4-20,50-51H,1-3H3,(H,44,52)(H,45,53)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)/b48-46+,49-47+

InChIKey

OTAVFSUYDCNWOO-ROHDNENLSA-N

Smiles

COc1cc(c(cc1/N=N/c2c(cc3cc(cc(c3c2O)NC(=O)c4ccccc4)S(=O)(=O)O)S(=O)(=O)O)OC)/N=N/c5c(cc6cc(cc(c6c5O)NC(=O)c7ccc(cc7)S(=O)(=O)C)S(=O)(=O)O)S(=O)(=O)O