[3-(1-methoxy-2-oxidanylidene-propyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(1-methoxy-2-oxidanylidene-propyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [3-(1-methoxy-2-oxo-propyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(1-methoxy-2-oxopropyl)phenyl] ester IUPAC Name: [3-(1-methoxy-2-oxopropyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(2-keto-1-methoxy-propyl)phenyl] ester Formula: C17H18O5S MolecularWeight: 334.38682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(C(=O)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(C(=O)C)OC

InChI

InChI=1S/C17H18O5S/c1-12-7-9-16(10-8-12)23(19,20)22-15-6-4-5-14(11-15)17(21-3)13(2)18/h4-11,17H,1-3H3