(2S,3R)-3-methyl-3-oxidanyl-2-(2-oxidanylidenebutyl)cyclohexane-1-carbaldehyde

Systemtic Name: (2S,3R)-3-methyl-3-oxidanyl-2-(2-oxidanylidenebutyl)cyclohexane-1-carbaldehyde Openeye Name: (2S,3R)-3-hydroxy-3-methyl-2-(2-oxobutyl)cyclohexanecarbaldehyde CAS Name: (2S,3R)-3-hydroxy-3-methyl-2-(2-oxobutyl)-1-cyclohexanecarboxaldehyde IUPAC Name: (2S,3R)-3-hydroxy-3-methyl-2-(2-oxobutyl)cyclohexane-1-carbaldehyde Traditional Name: (2S,3R)-3-hydroxy-2-(2-ketobutyl)-3-methyl-cyclohexanecarbaldehyde Formula: C12H20O3 MolecularWeight: 212.2854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC1C(CCCC1(C)O)C=O

Isomeric SMILES

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

InChI

InChI=1S/C12H20O3/c1-3-10(14)7-11-9(8-13)5-4-6-12(11,2)15/h8-9,11,15H,3-7H2,1-2H3/t9?,11-,12+/m0/s1