6-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-methoxycarbonyl-2,4-dimethyl-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: 6-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-methoxycarbonyl-2,4-dimethyl-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: 6-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxycarbonyl-2,4-dimethyl-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: 6-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxycarbonyl-2,4-dimethyl-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: 6-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxycarbonyl-2,4-dimethylcyclohexa-1,4-diene-1-carboxylic acid Traditional Name: 5-carbomethoxy-6-[4-chloro-3-(trifluoromethyl)phenyl]-2,4-dimethyl-cyclohexa-1,4-diene-1-carboxylic acid Formula: C18H16ClF3O4 MolecularWeight: 388.76545

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(C1)C)C(=O)OC)C2=CC(=C(C=C2)Cl)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(C1)C)C(=O)OC)C2=CC(=C(C=C2)Cl)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H16ClF3O4/c1-8-6-9(2)14(17(25)26-3)15(13(8)16(23)24)10-4-5-12(19)11(7-10)18(20,21)22/h4-5,7,15H,6H2,1-3H3,(H,23,24)