4-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxybenzoate

Systemtic Name: 4-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxybenzoate Openeye Name: 4-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]benzoate CAS Name: 4-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzoate IUPAC Name: 4-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzoate Traditional Name: 4-[(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=C(C=C2)C(=O)[O-])C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H24O3/c1-11(2)15-9-4-12(3)10-16(15)20-14-7-5-13(6-8-14)17(18)19/h5-8,11-12,15-16H,4,9-10H2,1-3H3,(H,18,19)/p-1/t12-,15+,16-/m0/s1