(E)-4-(3-iodanyl-2,6,6-trimethyl-2-oxidanyl-cyclohexyl)but-3-en-2-one

Systemtic Name: (E)-4-(3-iodanyl-2,6,6-trimethyl-2-oxidanyl-cyclohexyl)but-3-en-2-one Openeye Name: (E)-4-(2-hydroxy-3-iodo-2,6,6-trimethyl-cyclohexyl)but-3-en-2-one CAS Name: (E)-4-(2-hydroxy-3-iodo-2,6,6-trimethylcyclohexyl)-3-buten-2-one IUPAC Name: (E)-4-(2-hydroxy-3-iodo-2,6,6-trimethylcyclohexyl)but-3-en-2-one Traditional Name: (E)-4-(2-hydroxy-3-iodo-2,6,6-trimethyl-cyclohexyl)but-3-en-2-one Formula: C13H21IO2 MolecularWeight: 336.20911

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1C(CCC(C1(C)O)I)(C)C

Isomeric SMILES

CC(=O)/C=C/C1C(CCC(C1(C)O)I)(C)C

InChI

InChI=1S/C13H21IO2/c1-9(15)5-6-10-12(2,3)8-7-11(14)13(10,4)16/h5-6,10-11,16H,7-8H2,1-4H3/b6-5+