[3-(3-oxidanylidenebutan-2-yl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(3-oxidanylidenebutan-2-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [3-(1-methyl-2-oxo-propyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(3-oxobutan-2-yl)phenyl] ester IUPAC Name: [3-(3-oxobutan-2-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(2-keto-1-methyl-propyl)phenyl] ester Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O4S/c1-12-7-9-17(10-8-12)22(19,20)21-16-6-4-5-15(11-16)13(2)14(3)18/h4-11,13H,1-3H3