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

Systemtic Name: (3-methyl-1-oxidanylidene-1-phenyl-butan-2-yl) 4-methylbenzenesulfonate Openeye Name: (1-benzoyl-2-methyl-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-methyl-1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (3-methyl-1-oxo-1-phenylbutan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-benzoyl-2-methyl-propyl) ester Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O4S/c1-13(2)18(17(19)15-7-5-4-6-8-15)22-23(20,21)16-11-9-14(3)10-12-16/h4-13,18H,1-3H3