methyl 4-[(E)-3-(4-iodophenyl)-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-(4-iodophenyl)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-(4-iodophenyl)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(4-iodophenyl)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(4-iodophenyl)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(4-iodophenyl)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C17H13IO3 MolecularWeight: 392.18779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13IO3/c1-21-17(20)14-5-2-12(3-6-14)4-11-16(19)13-7-9-15(18)10-8-13/h2-11H,1H3/b11-4+