methyl 2,6,6-trimethyl-3-oxidanyl-cyclohexene-1-carboxylate

Systemtic Name: methyl 2,6,6-trimethyl-3-oxidanyl-cyclohexene-1-carboxylate Openeye Name: methyl 3-hydroxy-2,6,6-trimethyl-cyclohexene-1-carboxylate CAS Name: 3-hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-2,6,6-trimethylcyclohexene-1-carboxylate Traditional Name: 3-hydroxy-2,6,6-trimethyl-cyclohexene-1-carboxylic acid methyl ester Formula: C11H18O3 MolecularWeight: 198.25882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1O)(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C(CCC1O)(C)C)C(=O)OC

InChI

InChI=1S/C11H18O3/c1-7-8(12)5-6-11(2,3)9(7)10(13)14-4/h8,12H,5-6H2,1-4H3