ethyl (E)-7-[(1R,2S)-2-(8-iodanyloctyl)-5-oxidanylidene-cyclopentyl]hept-2-enoate

Systemtic Name: ethyl (E)-7-[(1R,2S)-2-(8-iodanyloctyl)-5-oxidanylidene-cyclopentyl]hept-2-enoate Openeye Name: ethyl (E)-7-[(1R,2S)-2-(8-iodooctyl)-5-oxo-cyclopentyl]hept-2-enoate CAS Name: (E)-7-[(1R,2S)-2-(8-iodooctyl)-5-oxocyclopentyl]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[(1R,2S)-2-(8-iodooctyl)-5-oxocyclopentyl]hept-2-enoate Traditional Name: (E)-7-[(1R,2S)-2-(8-iodooctyl)-5-keto-cyclopentyl]hept-2-enoic acid ethyl ester Formula: C22H37IO3 MolecularWeight: 476.43185

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCCCCC1C(CCC1=O)CCCCCCCCI

Isomeric SMILES

CCOC(=O)/C=C/CCCC[C@@H]1[C@H](CCC1=O)CCCCCCCCI

InChI

InChI=1S/C22H37IO3/c1-2-26-22(25)15-11-7-6-10-14-20-19(16-17-21(20)24)13-9-5-3-4-8-12-18-23/h11,15,19-20H,2-10,12-14,16-18H2,1H3/b15-11+/t19-,20+/m0/s1