3-(3-oxidanylidene-5-phenyl-1H-pyrazol-2-yl)propane-1-sulfonic acid

Systemtic Name: 3-(3-oxidanylidene-5-phenyl-1H-pyrazol-2-yl)propane-1-sulfonic acid Openeye Name: 3-(3-oxo-5-phenyl-1H-pyrazol-2-yl)propane-1-sulfonic acid CAS Name: 3-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-1-propanesulfonic acid IUPAC Name: 3-(3-oxo-5-phenyl-1H-pyrazol-2-yl)propane-1-sulfonic acid Traditional Name: 3-(5-keto-3-phenyl-3-pyrazolin-1-yl)propane-1-sulfonic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4S/c15-12-9-11(10-5-2-1-3-6-10)13-14(12)7-4-8-19(16,17)18/h1-3,5-6,9,13H,4,7-8H2,(H,16,17,18)