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Substance Name: 1-Naphthalenesulfonic acid, 4,4'-(carbonylbis(imino-4,1-phenylene(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)-2,1-diazenediyl))bis(3-hydroxy-7-nitro-, sodium salt (1:2)
RN: 6410-47-5
InChIKey: NSYCKHSPBPJZSU-VKCVERKASA-L

Molecular Formula

  • C41-H30-N12-O15-S2.2Na

Molecular Weight

  • 1038.85
 
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Names and Synonyms

Synonym

  • EINECS 229-109-3

Systematic Names

  • 1-Naphthalenesulfonic acid, 4,4'-(carbonylbis(imino-4,1-phenylene(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)-2,1-diazenediyl))bis(3-hydroxy-7-nitro-, sodium salt (1:2)
  • 1-Naphthalenesulfonic acid, 4,4'-(carbonylbis(imino-4,1-phenylene(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)azo))bis(3-hydroxy-7-nitro-, disodium salt
  • Disodium 4,4'-(carbonylbis(imino-4,1-phenylene(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)azo))bis(3-hydroxy-7-nitronaphthalene-1-sulphonate)

Registry Numbers

CAS Registry Number

  • 6410-47-5

System Generated Number

  • 0006410475

Molecular Formulas

Molecular Formula

  • C41-H30-N12-O15-S2.2Na

Molecular Formula Fragments

  • C41-H30-N12-O15-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C41H30N12O15S2.2Na/c1-19-35(39(56)50(46-19)48-44-37-27-13-11-25(52(59)60)15-29(27)33(17-31(37)54)69(63,64)65)21-3-7-23(8-4-21)42-41(58)43-24-9-5-22(6-10-24)36-20(2)47-51(40(36)57)49-45-38-28-14-12-26(53(61)62)16-30(28)34(18-32(38)55)70(66,67)68;;/h3-18,35-36,54-55H,1-2H3,(H2,42,43,58)(H,63,64,65)(H,66,67,68);;/q;2*+1/p-2/b48-44+,49-45+;;

InChIKey

NSYCKHSPBPJZSU-VKCVERKASA-L

Smiles

[O-]S(=O)(=O)c1cc(c(c2ccc(cc12)[N+](=O)[O-])\N=N\N1N=C([C@@H](C1=O)c1ccc(cc1)NC(=O)Nc1ccc(cc1)[C@@H]1C(=NN(C1=O)\N=N\c1c(cc(c2cc(ccc12)[N+](=O)[O-])S(=O)(=O)[O-])O)C)C)O.[Na+].[Na+]