(3-oxidanylidene-1-phenyl-butan-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (3-oxidanylidene-1-phenyl-butan-2-yl) 4-methylbenzenesulfonate Openeye Name: (1-benzyl-2-oxo-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (3-oxo-1-phenylbutan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-benzyl-2-keto-propyl) ester Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CC2=CC=CC=C2)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CC2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C17H18O4S/c1-13-8-10-16(11-9-13)22(19,20)21-17(14(2)18)12-15-6-4-3-5-7-15/h3-11,17H,12H2,1-2H3