[(3E)-1-iodanyl-10-oxidanyl-3-(phenylmethylidene)deca-1,5-diyn-4-yl] ethanoate

Systemtic Name: [(3E)-1-iodanyl-10-oxidanyl-3-(phenylmethylidene)deca-1,5-diyn-4-yl] ethanoate Openeye Name: [1-[(1E)-1-benzylidene-3-iodo-prop-2-ynyl]-7-hydroxy-hept-2-ynyl] acetate CAS Name: acetic acid [(3E)-10-hydroxy-1-iodo-3-(phenylmethylene)deca-1,5-diyn-4-yl] ester IUPAC Name: [(3E)-3-benzylidene-10-hydroxy-1-iododeca-1,5-diyn-4-yl] acetate Traditional Name: acetic acid [1-[(1E)-1-benzal-3-iodo-prop-2-ynyl]-7-hydroxy-hept-2-ynyl] ester Formula: C19H19IO3 MolecularWeight: 422.25683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C#CCCCCO)C(=CC1=CC=CC=C1)C#CI

Isomeric SMILES

CC(=O)OC(C#CCCCCO)/C(=C/C1=CC=CC=C1)/C#CI

InChI

InChI=1S/C19H19IO3/c1-16(22)23-19(11-7-2-3-8-14-21)18(12-13-20)15-17-9-5-4-6-10-17/h4-6,9-10,15,19,21H,2-3,8,14H2,1H3/b18-15+