(4-methyl-3-oxidanylidene-1-phenyl-pentan-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (4-methyl-3-oxidanylidene-1-phenyl-pentan-2-yl) 4-methylbenzenesulfonate Openeye Name: (1-benzyl-3-methyl-2-oxo-butyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-methyl-3-oxo-1-phenylpentan-2-yl) ester IUPAC Name: (4-methyl-3-oxo-1-phenylpentan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-benzyl-2-keto-3-methyl-butyl) ester Formula: C19H22O4S MolecularWeight: 346.44058

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H22O4S/c1-14(2)19(20)18(13-16-7-5-4-6-8-16)23-24(21,22)17-11-9-15(3)10-12-17/h4-12,14,18H,13H2,1-3H3