Chem
J-GLOBAL ID:200907001228066440   Nikkaji number:J318.778K

4,5-Dihydro-5-oxo-1-(4-sulfobenzyl)-1H-pyrazole-3-carboxylic acid

4,5-ジヒドロ-5-オキソ-1-(4-スルホベンジル)-1H-ピラゾール-3-カルボン酸
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C11H10N2O6S
Molecular formula furigana: C11-H10-N2-O6-S
Molecular weight: 298.270
InChI: InChI=1S/C11H10N2O6S/c14-10-5-9(11(15)16)12-13(10)6-7-1-3-8(4-2-7)20(17,18)19/h1-4H,5-6H2,(H,15,16)(H,17,18,19)
InChI key: JVQOIEZICVLIPO-UHFFFAOYSA-N
SMILES: OC(=O)C1=NN(Cc2ccc(cc2)S(=O)(=O)O)C(=O)C1
Systematic name  (3):
  • 4,5-ジヒドロ-5-オキソ-1-(4-スルホベンジル)-1H-ピラゾール-3-カルボン酸
  • 5-オキソ-1-[(4-スルホフェニル)メチル]-4,5-ジヒドロ-1H-ピラゾール-3-カルボン酸
  • 5-oxo-1-[(4-sulfophenyl)methyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid
Other name (1):
  • 4,5-Dihydro-5-oxo-1-(4-sulfobenzyl)-1H-pyrazole-3-carboxylic acid
CAS registry number: 71849-96-2
Regulation number (1):
  • EINECS2760813
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