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

Systemtic Name: 3-[[(1S,5R)-3,3,5-trimethylcyclohexyl]oxymethyl]benzoate Openeye Name: 3-[[(1S,5R)-3,3,5-trimethylcyclohexoxy]methyl]benzoate CAS Name: 3-[[(1S,5R)-3,3,5-trimethylcyclohexyl]oxymethyl]benzoate IUPAC Name: 3-[[(1S,5R)-3,3,5-trimethylcyclohexyl]oxymethyl]benzoate Traditional Name: 3-[[(1S,5R)-3,3,5-trimethylcyclohexoxy]methyl]benzoate Formula: C17H23O3- MolecularWeight: 275.36272

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)OCC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C[C@H]1C[C@@H](CC(C1)(C)C)OCC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C17H24O3/c1-12-7-15(10-17(2,3)9-12)20-11-13-5-4-6-14(8-13)16(18)19/h4-6,8,12,15H,7,9-11H2,1-3H3,(H,18,19)/p-1/t12-,15-/m0/s1