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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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