methyl 3-[(5,5-dimethyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-4-iodanyl-butanoate

Systemtic Name: methyl 3-[(5,5-dimethyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-4-iodanyl-butanoate Openeye Name: methyl 3-[(5,5-dimethyl-6-oxo-cyclohexen-1-yl)methyl]-4-iodo-butanoate CAS Name: 3-[(5,5-dimethyl-6-oxo-1-cyclohexenyl)methyl]-4-iodobutanoic acid methyl ester IUPAC Name: methyl 3-[(5,5-dimethyl-6-oxocyclohexen-1-yl)methyl]-4-iodobutanoate Traditional Name: 3-(iodomethyl)-4-(6-keto-5,5-dimethyl-cyclohexen-1-yl)butyric acid methyl ester Formula: C14H21IO3 MolecularWeight: 364.21921

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC=C(C1=O)CC(CC(=O)OC)CI)C

Isomeric SMILES

CC1(CCC=C(C1=O)CC(CC(=O)OC)CI)C

InChI

InChI=1S/C14H21IO3/c1-14(2)6-4-5-11(13(14)17)7-10(9-15)8-12(16)18-3/h5,10H,4,6-9H2,1-3H3