[(1S)-3-ethyl-2,2-dimethyl-3,4,5-tris(oxidanyl)cyclohexyl] ethanoate

Systemtic Name: [(1S)-3-ethyl-2,2-dimethyl-3,4,5-tris(oxidanyl)cyclohexyl] ethanoate Openeye Name: [(1S)-3-ethyl-3,4,5-trihydroxy-2,2-dimethyl-cyclohexyl] acetate CAS Name: acetic acid [(1S)-3-ethyl-3,4,5-trihydroxy-2,2-dimethylcyclohexyl] ester IUPAC Name: [(1S)-3-ethyl-3,4,5-trihydroxy-2,2-dimethylcyclohexyl] acetate Traditional Name: acetic acid [(1S)-3-ethyl-3,4,5-trihydroxy-2,2-dimethyl-cyclohexyl] ester Formula: C12H22O5 MolecularWeight: 246.30008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(CC(C1(C)C)OC(=O)C)O)O)O

Isomeric SMILES

CCC1(C(C(C[C@@H](C1(C)C)OC(=O)C)O)O)O

InChI

InChI=1S/C12H22O5/c1-5-12(16)10(15)8(14)6-9(11(12,3)4)17-7(2)13/h8-10,14-16H,5-6H2,1-4H3/t8?,9-,10?,12?/m0/s1