(3-oxidanylidene-3-phenyl-propyl) 4-methylbenzenesulfonate

Systemtic Name: (3-oxidanylidene-3-phenyl-propyl) 4-methylbenzenesulfonate Openeye Name: (3-oxo-3-phenyl-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-oxo-3-phenylpropyl) ester IUPAC Name: (3-oxo-3-phenylpropyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-keto-3-phenyl-propyl) ester Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(=O)C2=CC=CC=C2

InChI

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