6-[4-chloranyl-3-(trifluoromethyl)phenyl]-6-methyl-4-phenylmethoxy-cyclohexene-1-carboxylic acid

Systemtic Name: 6-[4-chloranyl-3-(trifluoromethyl)phenyl]-6-methyl-4-phenylmethoxy-cyclohexene-1-carboxylic acid Openeye Name: 4-benzyloxy-6-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-cyclohexene-1-carboxylic acid CAS Name: 6-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-4-phenylmethoxy-1-cyclohexenecarboxylic acid IUPAC Name: 6-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-4-phenylmethoxycyclohexene-1-carboxylic acid Traditional Name: 4-benzoxy-6-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-cyclohexene-1-carboxylic acid Formula: C22H20ClF3O3 MolecularWeight: 424.84061

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC=C1C(=O)O)OCC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CC1(CC(CC=C1C(=O)O)OCC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C22H20ClF3O3/c1-21(15-7-10-19(23)18(11-15)22(24,25)26)12-16(8-9-17(21)20(27)28)29-13-14-5-3-2-4-6-14/h2-7,9-11,16H,8,12-13H2,1H3,(H,27,28)