4-chloranyl-4-fluoranyl-3-methyl-5-(2-methylpropyl)-3-phenyl-cyclohexene-1,2-dicarboxylic acid

Systemtic Name: 4-chloranyl-4-fluoranyl-3-methyl-5-(2-methylpropyl)-3-phenyl-cyclohexene-1,2-dicarboxylic acid Openeye Name: 4-chloro-4-fluoro-5-isobutyl-3-methyl-3-phenyl-cyclohexene-1,2-dicarboxylic acid CAS Name: 4-chloro-4-fluoro-3-methyl-5-(2-methylpropyl)-3-phenylcyclohexene-1,2-dicarboxylic acid IUPAC Name: 4-chloro-4-fluoro-3-methyl-5-(2-methylpropyl)-3-phenylcyclohexene-1,2-dicarboxylic acid Traditional Name: 4-chloro-4-fluoro-5-isobutyl-3-methyl-3-phenyl-cyclohexene-1,2-dicarboxylic acid Formula: C19H22ClFO4 MolecularWeight: 368.826983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CC(=C(C(C1(F)Cl)(C)C2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC1CC(=C(C(C1(F)Cl)(C)C2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C19H22ClFO4/c1-11(2)9-13-10-14(16(22)23)15(17(24)25)18(3,19(13,20)21)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,22,23)(H,24,25)