2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxybenzoate

Systemtic Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxybenzoate Openeye Name: 2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]benzoate CAS Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzoate IUPAC Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzoate Traditional Name: 2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]benzoate Formula: C17H23O3- MolecularWeight: 275.36272

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC2=CC=CC=C2C(=O)[O-])C(C)C

Isomeric SMILES

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

InChI

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