[(5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-oxidanylideneethanoate hydrate

Systemtic Name: [(5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-oxidanylideneethanoate hydrate Openeye Name: [(5S)-2-isopropyl-5-methyl-cyclohexyl] 2-oxoacetate hydrate CAS Name: 2-oxoacetic acid [(5S)-5-methyl-2-propan-2-ylcyclohexyl] ester hydrate IUPAC Name: [(5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxoacetate hydrate Traditional Name: 2-ketoacetic acid [(5S)-2-isopropyl-5-methyl-cyclohexyl] ester hydrate Formula: C12H22O4 MolecularWeight: 230.30068

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C=O)C(C)C.O

Isomeric SMILES

C[C@H]1CCC(C(C1)OC(=O)C=O)C(C)C.O

InChI

InChI=1S/C12H20O3.H2O/c1-8(2)10-5-4-9(3)6-11(10)15-12(14)7-13;/h7-11H,4-6H2,1-3H3;1H2/t9-,10?,11?;/m0./s1