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

Systemtic Name: [2-(1-methoxy-2-oxidanylidene-propyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [2-(1-methoxy-2-oxo-propyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(1-methoxy-2-oxopropyl)phenyl] ester IUPAC Name: [2-(1-methoxy-2-oxopropyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(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=C2C(C(=O)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(C(=O)C)OC

InChI

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