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Reference substances

Reference substances

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General information

Inventory

EC number:
204-254-5
EC name:
5-oxo-1-(4-sulphophenyl)-2-pyrazoline-3-carboxylic acid
CAS number:
118-47-8

No inventory information available

Reference substance information

IUPAC name:
5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid
Synonyms
Names:
1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-
Identifier:
CAS number
118-47-8
5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid

CAS information

CAS number:
118-47-8

Molecular and structural information

Molecular formula:
C10H8N2O6S
Molecular weight:
284.245
SMILES notation:
OC(=O)C1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)O
InChl:
InChI=1/C10H8N2O6S/c13-9-5-8(10(14)15)11-12(9)6-1-3-7(4-2-6)19(16,17)18/h1-4H,5H2,(H,14,15)(H,16,17,18)
Structural formula:
Chemical structure