[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-iodanylbenzoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-iodanylbenzoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C16H13IO3S MolecularWeight: 412.24209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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