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

Systemtic Name: [4-(2-oxidanylidene-1-phenylmethoxy-ethyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(1-benzyloxy-2-oxo-ethyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(2-oxo-1-phenylmethoxyethyl)phenyl] ester IUPAC Name: [4-(2-oxo-1-phenylmethoxyethyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(1-benzoxy-2-keto-ethyl)phenyl] ester Formula: C22H20O5S MolecularWeight: 396.4562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20O5S/c1-17-7-13-21(14-8-17)28(24,25)27-20-11-9-19(10-12-20)22(15-23)26-16-18-5-3-2-4-6-18/h2-15,22H,16H2,1H3