[(1E,3S,5Z)-1-iodanyl-9-methoxy-9-oxidanylidene-nona-1,5-dien-3-yl] benzoate

Systemtic Name: [(1E,3S,5Z)-1-iodanyl-9-methoxy-9-oxidanylidene-nona-1,5-dien-3-yl] benzoate Openeye Name: [(Z,1S)-1-[(E)-2-iodovinyl]-7-methoxy-7-oxo-hept-3-enyl] benzoate CAS Name: benzoic acid [(1E,3S,5Z)-1-iodo-9-methoxy-9-oxonona-1,5-dien-3-yl] ester IUPAC Name: [(1E,3S,5Z)-1-iodo-9-methoxy-9-oxonona-1,5-dien-3-yl] benzoate Traditional Name: benzoic acid [(Z,1S)-1-[(E)-2-iodovinyl]-7-keto-7-methoxy-hept-3-enyl] ester Formula: C17H19IO4 MolecularWeight: 414.23483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC=CCC(C=CI)OC(=O)C1=CC=CC=C1

Isomeric SMILES

COC(=O)CC/C=C\C[C@@H](/C=C/I)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H19IO4/c1-21-16(19)11-7-3-6-10-15(12-13-18)22-17(20)14-8-4-2-5-9-14/h2-6,8-9,12-13,15H,7,10-11H2,1H3/b6-3-,13-12+/t15-/m0/s1