[2-(4-iodophenyl)-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-(4-iodophenyl)-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-(4-iodophenyl)-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-(4-iodophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-iodophenyl)-2-oxoethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-(4-iodophenyl)-2-keto-ethyl] ester Formula: C16H13IO3S MolecularWeight: 412.24209

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C16H13IO3S/c1-21-14-8-4-12(5-9-14)16(19)20-10-15(18)11-2-6-13(17)7-3-11/h2-9H,10H2,1H3