[(1E,3S,5Z)-1-iodanylocta-1,5-dien-3-yl] benzoate

Systemtic Name: [(1E,3S,5Z)-1-iodanylocta-1,5-dien-3-yl] benzoate Openeye Name: [(Z,1S)-1-[(E)-2-iodovinyl]hex-3-enyl] benzoate CAS Name: benzoic acid [(1E,3S,5Z)-1-iodoocta-1,5-dien-3-yl] ester IUPAC Name: [(1E,3S,5Z)-1-iodoocta-1,5-dien-3-yl] benzoate Traditional Name: benzoic acid [(Z,1S)-1-[(E)-2-iodovinyl]hex-3-enyl] ester Formula: C15H17IO2 MolecularWeight: 356.19875

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17IO2/c1-2-3-5-10-14(11-12-16)18-15(17)13-8-6-4-7-9-13/h3-9,11-12,14H,2,10H2,1H3/b5-3-,12-11+/t14-/m0/s1