3-(4-methanoyl-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid

Systemtic Name: 3-(4-methanoyl-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid Openeye Name: 3-(4-formyl-5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid CAS Name: 3-(4-formyl-5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid IUPAC Name: 3-(4-formyl-5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid Traditional Name: 3-(4-formyl-5-keto-3-methyl-3-pyrazolin-1-yl)besylic acid Formula: C11H10N2O5S MolecularWeight: 282.2725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)O)C=O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)O)C=O

InChI

InChI=1S/C11H10N2O5S/c1-7-10(6-14)11(15)13(12-7)8-3-2-4-9(5-8)19(16,17)18/h2-6,12H,1H3,(H,16,17,18)