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

CAS Registry Number®

29637-29-4

CAS Name

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

Molecular Formula

C23H21N3O5S

Molecular Mass

451.49

Cite this Page

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.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29637-29-4 (retrieved 2024-11-22) (CAS RN: 29637-29-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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)

InChIKey

InChIKey=ORAPKIMSYPKJRA-UHFFFAOYSA-N

SMILES

C(C)N1C=2C(OC1=CC=CC=C3C(=O)N(N=C3C)C4=CC=C(S(=O)(=O)O)C=C4)=CC=CC2

Canonical SMILES

O=C1C(=CC=CC=C2OC=3C=CC=CC3N2CC)C(=NN1C4=CC=C(C=C4)S(=O)(=O)O)C

Other Names for this Substance

  • 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, p-[4-[4-(3-ethyl-2-benzoxazolinylidene)-2-butenylidene]-3-methyl-5-oxo-2-pyrazolin-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]-
  • 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-(3-Ethyl-2(3H)-benzoxazolylidene)-2-butenylidene]-3-methyl-1-p-sulfophenyl-2-pyrazolin-5-one