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

Systemtic Name: (5-oxidanylidene-5-phenyl-pentyl) 4-methylbenzenesulfonate Openeye Name: (5-oxo-5-phenyl-pentyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-oxo-5-phenylpentyl) ester IUPAC Name: (5-oxo-5-phenylpentyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-keto-5-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)OCCCCC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

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