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Substance Name: Benzenesulfonic acid, 4-(4-(2-(3-ethyl-2(3H)-benzoxazolylidene)ethylidene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
RN: 27583-41-1
InChIKey: ZHDYUNFDUDYQNL-CKDUKDRZSA-N

Molecular Formula

  • C21-H19-N3-O5-S

Molecular Weight

  • 425.463
 
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Names and Synonyms

Synonym

  • EINECS 248-547-6

Systematic Names

  • Benzenesulfonic acid, 4-(4-((3-ethyl-2(3H)-benzoxazolylidene)ethylidene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
  • Benzenesulfonic acid, 4-(4-(2-(3-ethyl-2(3H)-benzoxazolylidene)ethylidene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
  • p-(4-((3-Ethyl-3H-benzoxazol-2-ylidene)ethylidene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid

Registry Numbers

CAS Registry Number

  • 27583-41-1

System Generated Number

  • 0027583411

Structure Descriptors

InChI

1S/C21H19N3O5S/c1-3-23-18-6-4-5-7-19(18)29-20(23)13-12-17-14(2)22-24(21(17)25)15-8-10-16(11-9-15)30(26,27)28/h4-13H,3H2,1-2H3,(H,26,27,28)/b17-12+,20-13-

InChIKey

ZHDYUNFDUDYQNL-CKDUKDRZSA-N

Smiles

O=C1N(N=C(C)\C1=C/C=C1\Oc2c(cccc2)N1CC)c1ccc(S(=O)(=O)O)cc1