3-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxypropanoate

Systemtic Name: 3-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxypropanoate Openeye Name: 3-[(1S,5R)-3,3,5-trimethylcyclohexoxy]propanoate CAS Name: 3-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxypropanoate IUPAC Name: 3-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxypropanoate Traditional Name: 3-[(1S,5R)-3,3,5-trimethylcyclohexoxy]propionate Formula: C12H21O3- MolecularWeight: 213.29334

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)OCCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H22O3/c1-9-6-10(8-12(2,3)7-9)15-5-4-11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14)/p-1/t9-,10-/m0/s1