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Substance Name: 2-Naphthalenecarboxylic acid, 4,4'-((1,8-dihydroxy-4-sulfonaphthalene-2,7-diyl)bis(azo-4,1-phenyleneazo))bis(1-hydroxy-
RN: 116962-66-4
InChIKey: DGSQLBVTGAAFHE-HUJXRBPWSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C44-H28-N8-O11-S

Molecular Weight

  • 876.816
 
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Names and Synonyms

  • 2-Naphthalenecarboxylic acid, 4,4'-((1,8-dihydroxy-4-sulfonaphthalene-2,7-diyl)bis(azo-4,1-phenyleneazo))bis(1-hydroxy-

Registry Numbers

CAS Registry Number

  • 116962-66-4

System Generated Number

  • 0116962664

Structure Descriptors

InChI

1S/C44H28N8O11S/c53-39-28-7-3-1-5-26(28)34(19-31(39)43(57)58)50-46-23-11-9-22(10-12-23)45-49-33-18-17-30-37(64(61,62)63)21-36(42(56)38(30)41(33)55)52-48-25-15-13-24(14-16-25)47-51-35-20-32(44(59)60)40(54)29-8-4-2-6-27(29)35/h1-21,53-56H,(H,57,58)(H,59,60)(H,61,62,63)/b49-45+,50-46+,51-47+,52-48+

InChIKey

DGSQLBVTGAAFHE-HUJXRBPWSA-N

Smiles

c1(c(cc(c2ccc(c(c12)O)\N=N\c1ccc(cc1)\N=N\c1cc(c(c2ccccc12)O)C(=O)O)S(=O)(=O)O)\N=N\c1ccc(cc1)\N=N\c1cc(c(c2ccccc12)O)C(=O)O)O