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

Systemtic Name: 6-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-6-methyl-cyclohexene-1-carboxylic acid Openeye Name: 6-[4-chloro-3-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-6-methyl-cyclohexene-1-carboxylic acid CAS Name: 6-[4-chloro-3-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-6-methyl-1-cyclohexenecarboxylic acid IUPAC Name: 6-[4-chloro-3-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-6-methylcyclohexene-1-carboxylic acid Traditional Name: 6-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-4-methylol-cyclohexene-1-carboxylic acid Formula: C16H16ClF3O3 MolecularWeight: 348.74465

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC=C1C(=O)O)CO)C2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CC1(CC(CC=C1C(=O)O)CO)C2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C16H16ClF3O3/c1-15(7-9(8-21)2-4-11(15)14(22)23)10-3-5-13(17)12(6-10)16(18,19)20/h3-6,9,21H,2,7-8H2,1H3,(H,22,23)