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

Systemtic Name: [3-(2-oxidanylidene-1-phenylmethoxy-propyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [3-(1-benzyloxy-2-oxo-propyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(2-oxo-1-phenylmethoxypropyl)phenyl] ester IUPAC Name: [3-(2-oxo-1-phenylmethoxypropyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(1-benzoxy-2-keto-propyl)phenyl] ester Formula: C23H22O5S MolecularWeight: 410.48278

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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)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(C(=O)C)OCC3=CC=CC=C3

InChI

InChI=1S/C23H22O5S/c1-17-11-13-22(14-12-17)29(25,26)28-21-10-6-9-20(15-21)23(18(2)24)27-16-19-7-4-3-5-8-19/h3-15,23H,16H2,1-2H3