(2S,3S)-3,5,5-trimethyl-2,3-bis(oxidanyl)cyclohexan-1-one

Systemtic Name: (2S,3S)-3,5,5-trimethyl-2,3-bis(oxidanyl)cyclohexan-1-one Openeye Name: (2S,3S)-2,3-dihydroxy-3,5,5-trimethyl-cyclohexanone CAS Name: (2S,3S)-2,3-dihydroxy-3,5,5-trimethyl-1-cyclohexanone IUPAC Name: (2S,3S)-2,3-dihydroxy-3,5,5-trimethylcyclohexan-1-one Traditional Name: (2S,3S)-2,3-dihydroxy-3,5,5-trimethyl-cyclohexanone Formula: C9H16O3 MolecularWeight: 172.22154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16O3/c1-8(2)4-6(10)7(11)9(3,12)5-8/h7,11-12H,4-5H2,1-3H3/t7-,9+/m1/s1