4-oxidanylidene-2,4-diphenyl-butane-2-sulfonate; phenylazanium

Systemtic Name: 4-oxidanylidene-2,4-diphenyl-butane-2-sulfonate; phenylazanium Openeye Name: 4-oxo-2,4-diphenyl-butane-2-sulfonate; phenylammonium CAS Name: 4-oxo-2,4-diphenyl-2-butanesulfonate; phenylammonium IUPAC Name: 4-oxo-2,4-diphenylbutane-2-sulfonate; phenylazanium Traditional Name: 4-keto-2,4-diphenyl-butane-2-sulfonate; phenylammonium Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=CC=C1)(C2=CC=CC=C2)S(=O)(=O)[O-].C1=CC=C(C=C1)[NH3+]

Isomeric SMILES

CC(CC(=O)C1=CC=CC=C1)(C2=CC=CC=C2)S(=O)(=O)[O-].C1=CC=C(C=C1)[NH3+]

InChI

InChI=1S/C16H16O4S.C6H7N/c1-16(21(18,19)20,14-10-6-3-7-11-14)12-15(17)13-8-4-2-5-9-13;7-6-4-2-1-3-5-6/h2-11H,12H2,1H3,(H,18,19,20);1-5H,7H2