4-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]-2-phenyliodonio-phenolate

Systemtic Name: 4-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]-2-phenyliodonio-phenolate Openeye Name: 4-[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]-2-phenyliodonio-phenolate CAS Name: 4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-phenyliodoniophenolate IUPAC Name: 4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-phenyliodoniophenolate Traditional Name: 4-[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]-2-phenyliodonio-phenolate Formula: C17H12INO3 MolecularWeight: 405.18655

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC(=C(C=C1)[O-])[I+]C2=CC=CC=C2)C#N

Isomeric SMILES

COC(=O)/C(=C/C1=CC(=C(C=C1)[O-])[I+]C2=CC=CC=C2)/C#N

InChI

InChI=1S/C17H12INO3/c1-22-17(21)13(11-19)9-12-7-8-16(20)15(10-12)18-14-5-3-2-4-6-14/h2-10H,1H3