(1-naphthalen-1-yl-1-oxidanylidene-propan-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-naphthalen-1-yl-1-oxidanylidene-propan-2-yl) 4-methylbenzenesulfonate Openeye Name: [1-methyl-2-(1-naphthyl)-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(1-naphthalenyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-naphthalen-1-yl-1-oxopropan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-1-methyl-2-(1-naphthyl)ethyl] ester Formula: C20H18O4S MolecularWeight: 354.41952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C20H18O4S/c1-14-10-12-17(13-11-14)25(22,23)24-15(2)20(21)19-9-5-7-16-6-3-4-8-18(16)19/h3-13,15H,1-2H3