[2-(4-iodophenyl)-2-oxidanylidene-ethyl] 3-methylbenzoate

Systemtic Name: [2-(4-iodophenyl)-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-(4-iodophenyl)-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-(4-iodophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-iodophenyl)-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-(4-iodophenyl)-2-keto-ethyl] ester Formula: C16H13IO3 MolecularWeight: 380.17709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13IO3/c1-11-3-2-4-13(9-11)16(19)20-10-15(18)12-5-7-14(17)8-6-12/h2-9H,10H2,1H3