4-[(1S,2S)-2-(3-iodanylpropanoyl)-2,6,6-trimethyl-cyclohexyl]butan-2-one

Systemtic Name: 4-[(1S,2S)-2-(3-iodanylpropanoyl)-2,6,6-trimethyl-cyclohexyl]butan-2-one Openeye Name: 4-[(1S,2S)-2-(3-iodopropanoyl)-2,6,6-trimethyl-cyclohexyl]butan-2-one CAS Name: 4-[(1S,2S)-2-(3-iodo-1-oxopropyl)-2,6,6-trimethylcyclohexyl]-2-butanone IUPAC Name: 4-[(1S,2S)-2-(3-iodopropanoyl)-2,6,6-trimethylcyclohexyl]butan-2-one Traditional Name: 4-[(1S,2S)-2-(3-iodopropanoyl)-2,6,6-trimethyl-cyclohexyl]butan-2-one Formula: C16H27IO2 MolecularWeight: 378.28885

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1C(CCCC1(C)C(=O)CCI)(C)C

Isomeric SMILES

CC(=O)CC[C@@H]1[C@@](CCCC1(C)C)(C)C(=O)CCI

InChI

InChI=1S/C16H27IO2/c1-12(18)6-7-13-15(2,3)9-5-10-16(13,4)14(19)8-11-17/h13H,5-11H2,1-4H3/t13-,16-/m0/s1