[3-(4-methylphenyl)sulfonyl-2-oxidanylidene-propyl] 4-methylbenzoate

Systemtic Name: [3-(4-methylphenyl)sulfonyl-2-oxidanylidene-propyl] 4-methylbenzoate Openeye Name: [2-oxo-3-(p-tolylsulfonyl)propyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-(4-methylphenyl)sulfonyl-2-oxopropyl] ester IUPAC Name: [3-(4-methylphenyl)sulfonyl-2-oxopropyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (2-keto-3-tosyl-propyl) ester Formula: C18H18O5S MolecularWeight: 346.39752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC(=O)CS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC(=O)CS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H18O5S/c1-13-3-7-15(8-4-13)18(20)23-11-16(19)12-24(21,22)17-9-5-14(2)6-10-17/h3-10H,11-12H2,1-2H3