4-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxybenzoate

Systemtic Name: 4-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxybenzoate Openeye Name: 4-[(1S,5R)-3,3,5-trimethylcyclohexoxy]benzoate CAS Name: 4-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxybenzoate IUPAC Name: 4-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxybenzoate Traditional Name: 4-[(1S,5R)-3,3,5-trimethylcyclohexoxy]benzoate Formula: C16H21O3- MolecularWeight: 261.33614

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)OC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C[C@H]1C[C@@H](CC(C1)(C)C)OC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C16H22O3/c1-11-8-14(10-16(2,3)9-11)19-13-6-4-12(5-7-13)15(17)18/h4-7,11,14H,8-10H2,1-3H3,(H,17,18)/p-1/t11-,14-/m0/s1