benzenesulfonic acid; 2-phenyl-1H-pyrazol-5-one

Systemtic Name: benzenesulfonic acid; 2-phenyl-1H-pyrazol-5-one Openeye Name: benzenesulfonic acid; 2-phenyl-1H-pyrazol-5-one CAS Name: benzenesulfonic acid; 2-phenyl-1H-pyrazol-5-one IUPAC Name: benzenesulfonic acid; 2-phenyl-1H-pyrazol-5-one Traditional Name: besylic acid; 1-phenyl-3-pyrazolin-3-one Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=CC(=O)N2.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=CC(=O)N2.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C9H8N2O.C6H6O3S/c12-9-6-7-11(10-9)8-4-2-1-3-5-8;7-10(8,9)6-4-2-1-3-5-6/h1-7H,(H,10,12);1-5H,(H,7,8,9)