3-[5-(4-methylphenyl)-3-oxidanylidene-1H-pyrazol-2-yl]propane-1-sulfonic acid

Systemtic Name: 3-[5-(4-methylphenyl)-3-oxidanylidene-1H-pyrazol-2-yl]propane-1-sulfonic acid Openeye Name: 3-[3-oxo-5-(p-tolyl)-1H-pyrazol-2-yl]propane-1-sulfonic acid CAS Name: 3-[5-(4-methylphenyl)-3-oxo-1H-pyrazol-2-yl]-1-propanesulfonic acid IUPAC Name: 3-[5-(4-methylphenyl)-3-oxo-1H-pyrazol-2-yl]propane-1-sulfonic acid Traditional Name: 3-[5-keto-3-(p-tolyl)-3-pyrazolin-1-yl]propane-1-sulfonic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=O)N(N2)CCCS(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=O)N(N2)CCCS(=O)(=O)O

InChI

InChI=1S/C13H16N2O4S/c1-10-3-5-11(6-4-10)12-9-13(16)15(14-12)7-2-8-20(17,18)19/h3-6,9,14H,2,7-8H2,1H3,(H,17,18,19)