2-chloranyl-6-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-benzoate

Systemtic Name: 2-chloranyl-6-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-benzoate Openeye Name: 2-chloro-6-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]benzoate CAS Name: 2-chloro-6-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzoate IUPAC Name: 2-chloro-6-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzoate Traditional Name: 2-chloro-6-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]benzoate Formula: C17H22ClO3- MolecularWeight: 309.80778

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC2=C(C(=CC=C2)Cl)C(=O)[O-])C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClO3/c1-10(2)12-8-7-11(3)9-15(12)21-14-6-4-5-13(18)16(14)17(19)20/h4-6,10-12,15H,7-9H2,1-3H3,(H,19,20)/p-1/t11-,12+,15-/m0/s1