phenacyl 3-iodanyl-4-methoxy-benzoate

Systemtic Name: phenacyl 3-iodanyl-4-methoxy-benzoate Openeye Name: phenacyl 3-iodo-4-methoxy-benzoate CAS Name: 3-iodo-4-methoxybenzoic acid phenacyl ester IUPAC Name: phenacyl 3-iodo-4-methoxybenzoate Traditional Name: 3-iodo-4-methoxy-benzoic acid phenacyl ester Formula: C16H13IO4 MolecularWeight: 396.17649

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CC=C2)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CC=C2)I

InChI

InChI=1S/C16H13IO4/c1-20-15-8-7-12(9-13(15)17)16(19)21-10-14(18)11-5-3-2-4-6-11/h2-9H,10H2,1H3