(4S,5R)-3,3,5-trimethyl-4-(4-oxidanyl-3-oxidanylidene-butyl)cyclohexan-1-one

Systemtic Name: (4S,5R)-3,3,5-trimethyl-4-(4-oxidanyl-3-oxidanylidene-butyl)cyclohexan-1-one Openeye Name: (4S,5R)-4-(4-hydroxy-3-oxo-butyl)-3,3,5-trimethyl-cyclohexanone CAS Name: (4S,5R)-4-(4-hydroxy-3-oxobutyl)-3,3,5-trimethyl-1-cyclohexanone IUPAC Name: (4S,5R)-4-(4-hydroxy-3-oxobutyl)-3,3,5-trimethylcyclohexan-1-one Traditional Name: (4S,5R)-4-(4-hydroxy-3-keto-butyl)-3,3,5-trimethyl-cyclohexanone Formula: C13H22O3 MolecularWeight: 226.31198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)CC(C1CCC(=O)CO)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C13H22O3/c1-9-6-11(16)7-13(2,3)12(9)5-4-10(15)8-14/h9,12,14H,4-8H2,1-3H3/t9-,12+/m1/s1