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Substance Name: Benzenesulfonic acid, 4-(4-(4-(3-ethyl-2(3H)-benzoxazolylidene)-2-buten-1-ylidene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
RN: 29637-29-4
InChIKey: ORAPKIMSYPKJRA-SBVKBHTESA-N

Molecular Formula

  • C23-H21-N3-O5-S

Molecular Weight

  • 451.501
 
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Names and Synonyms

Synonym

  • EINECS 249-746-0

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 29637-29-4

System Generated Number

  • 0029637294

Structure Descriptors

InChI

1S/C23H21N3O5S/c1-3-25-20-9-5-6-10-21(20)31-22(25)11-7-4-8-19-16(2)24-26(23(19)27)17-12-14-18(15-13-17)32(28,29)30/h4-15H,3H2,1-2H3,(H,28,29,30)/b7-4+,19-8-,22-11+

InChIKey

ORAPKIMSYPKJRA-SBVKBHTESA-N

Smiles

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