methyl 1-[(E)-3-iodanyl-2,3-diphenyl-prop-2-enyl]cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: methyl 1-[(E)-3-iodanyl-2,3-diphenyl-prop-2-enyl]cyclohexa-2,5-diene-1-carboxylate Openeye Name: methyl 1-[(E)-3-iodo-2,3-diphenyl-allyl]cyclohexa-2,5-diene-1-carboxylate CAS Name: 1-[(E)-3-iodo-2,3-diphenylprop-2-enyl]-1-cyclohexa-2,5-dienecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-iodo-2,3-diphenylprop-2-enyl]cyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-[(E)-3-iodo-2,3-diphenyl-allyl]cyclohexa-2,5-diene-1-carboxylic acid methyl ester Formula: C23H21IO2 MolecularWeight: 456.31611

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C=CCC=C1)CC(=C(C2=CC=CC=C2)I)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(C=CCC=C1)C/C(=C(/C2=CC=CC=C2)\I)/C3=CC=CC=C3

InChI

InChI=1S/C23H21IO2/c1-26-22(25)23(15-9-4-10-16-23)17-20(18-11-5-2-6-12-18)21(24)19-13-7-3-8-14-19/h2-3,5-16H,4,17H2,1H3/b21-20+