3-oxidanylidene-1-phenyl-butane-1-sulfonate; phenylazanium

Systemtic Name: 3-oxidanylidene-1-phenyl-butane-1-sulfonate; phenylazanium Openeye Name: 3-oxo-1-phenyl-butane-1-sulfonate; phenylammonium CAS Name: 3-oxo-1-phenyl-1-butanesulfonate; phenylammonium IUPAC Name: 3-oxo-1-phenylbutane-1-sulfonate; phenylazanium Traditional Name: 3-keto-1-phenyl-butane-1-sulfonate; phenylammonium Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O4S.C6H7N/c1-8(11)7-10(15(12,13)14)9-5-3-2-4-6-9;7-6-4-2-1-3-5-6/h2-6,10H,7H2,1H3,(H,12,13,14);1-5H,7H2