(5-oxidanylidene-3-phenyl-pentyl) 4-methylbenzenesulfonate

Systemtic Name: (5-oxidanylidene-3-phenyl-pentyl) 4-methylbenzenesulfonate Openeye Name: (5-oxo-3-phenyl-pentyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-oxo-3-phenylpentyl) ester IUPAC Name: (5-oxo-3-phenylpentyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-keto-3-phenyl-pentyl) ester Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O4S/c1-15-7-9-18(10-8-15)23(20,21)22-14-12-17(11-13-19)16-5-3-2-4-6-16/h2-10,13,17H,11-12,14H2,1H3