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Substance Name: 5-Benzoxazolesulfonic acid, 2-(2-(1,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene)ethylidene)-3-ethyl-2,3-dihydro-
RN: 71042-69-8
InChIKey: MMSRNPCMCXOHKO-RXNQZRMKSA-N

Molecular Formula

  • C21-H19-N3-O8-S2

Molecular Weight

  • 505.526
 
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Names and Synonyms

Synonyms

  • 4-(2-(3-Ethyl-5-sulfo-2(3H)-benzoxazolylidene)ethylidene)-3-methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one
  • EINECS 275-153-1

Systematic Names

  • 2-((1,5-Dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-4H-pyrazol-4-ylidene)ethylidene)-3-ethyl-2,3-dihydrobenzoxazole-5-sulphonic acid
  • 5-Benzoxazolesulfonic acid, 2-((1,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene)ethylidene)-3-ethyl-2,3-dihydro-
  • 5-Benzoxazolesulfonic acid, 2-(2-(1,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene)ethylidene)-3-ethyl-2,3-dihydro-

Registry Numbers

CAS Registry Number

  • 71042-69-8

System Generated Number

  • 0071042698

Structure Descriptors

InChI

1S/C21H19N3O8S2/c1-3-23-18-12-16(34(29,30)31)8-10-19(18)32-20(23)11-9-17-13(2)22-24(21(17)25)14-4-6-15(7-5-14)33(26,27)28/h4-12H,3H2,1-2H3,(H,26,27,28)(H,29,30,31)/b17-9+,20-11-

InChIKey

MMSRNPCMCXOHKO-RXNQZRMKSA-N

Smiles

O=C1N(N=C(C)\C1=C/C=C1\Oc2c(cc(S(=O)(=O)O)cc2)N1CC)c1ccc(S(=O)(=O)O)cc1