4-[(4R,6S)-6-(hydroxymethyl)-2,6-dimethyl-4-oxidanyl-cyclohexen-1-yl]butan-2-one

Systemtic Name: 4-[(4R,6S)-6-(hydroxymethyl)-2,6-dimethyl-4-oxidanyl-cyclohexen-1-yl]butan-2-one Openeye Name: 4-[(4R,6S)-4-hydroxy-6-(hydroxymethyl)-2,6-dimethyl-cyclohexen-1-yl]butan-2-one CAS Name: 4-[(4R,6S)-4-hydroxy-6-(hydroxymethyl)-2,6-dimethyl-1-cyclohexenyl]-2-butanone IUPAC Name: 4-[(4R,6S)-4-hydroxy-6-(hydroxymethyl)-2,6-dimethylcyclohexen-1-yl]butan-2-one Traditional Name: 4-[(4R,6S)-4-hydroxy-2,6-dimethyl-6-methylol-cyclohexen-1-yl]butan-2-one Formula: C13H22O3 MolecularWeight: 226.31198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(C1)O)(C)CO)CCC(=O)C

Isomeric SMILES

CC1=C([C@@](C[C@@H](C1)O)(C)CO)CCC(=O)C

InChI

InChI=1S/C13H22O3/c1-9-6-11(16)7-13(3,8-14)12(9)5-4-10(2)15/h11,14,16H,4-8H2,1-3H3/t11-,13-/m1/s1