(2S)-3-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxy-butanoate

Systemtic Name: (2S)-3-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxy-butanoate Openeye Name: (2S)-3-methyl-2-[(1S,3R)-3-methylcyclohexoxy]butanoate CAS Name: (2S)-3-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxybutanoate IUPAC Name: (2S)-3-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxybutanoate Traditional Name: (2S)-3-methyl-2-[(1S,3R)-3-methylcyclohexoxy]butyrate Formula: C12H21O3- MolecularWeight: 213.29334

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)OC(C(C)C)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H22O3/c1-8(2)11(12(13)14)15-10-6-4-5-9(3)7-10/h8-11H,4-7H2,1-3H3,(H,13,14)/p-1/t9-,10+,11+/m1/s1