2-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxybenzoic acid

Systemtic Name: 2-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxybenzoic acid Openeye Name: 2-[(1S,5R)-3,3,5-trimethylcyclohexoxy]benzoic acid CAS Name: 2-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxybenzoic acid IUPAC Name: 2-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxybenzoic acid Traditional Name: 2-[(1S,5R)-3,3,5-trimethylcyclohexoxy]benzoic acid Formula: C16H22O3 MolecularWeight: 262.34408

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)OC2=CC=CC=C2C(=O)O

Isomeric SMILES

C[C@H]1C[C@@H](CC(C1)(C)C)OC2=CC=CC=C2C(=O)O

InChI

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