methyl (1R,2R)-1,3,3-trimethyl-2-(3-oxidanylidenepropyl)cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,2R)-1,3,3-trimethyl-2-(3-oxidanylidenepropyl)cyclohexane-1-carboxylate Openeye Name: methyl (1R,2R)-1,3,3-trimethyl-2-(3-oxopropyl)cyclohexanecarboxylate CAS Name: (1R,2R)-1,3,3-trimethyl-2-(3-oxopropyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2R)-1,3,3-trimethyl-2-(3-oxopropyl)cyclohexane-1-carboxylate Traditional Name: (1R,2R)-2-(3-ketopropyl)-1,3,3-trimethyl-cyclohexanecarboxylic acid methyl ester Formula: C14H24O3 MolecularWeight: 240.33856

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1CCC=O)(C)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C14H24O3/c1-13(2)8-6-9-14(3,12(16)17-4)11(13)7-5-10-15/h10-11H,5-9H2,1-4H3/t11-,14-/m1/s1