4-(4-carboxyphenyl)-3,3-bis(trifluoromethyl)cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: 4-(4-carboxyphenyl)-3,3-bis(trifluoromethyl)cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 4-(4-carboxyphenyl)-3,3-bis(trifluoromethyl)cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 4-(4-carboxyphenyl)-3,3-bis(trifluoromethyl)-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 4-(4-carboxyphenyl)-3,3-bis(trifluoromethyl)cyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 4-(4-carboxyphenyl)-3,3-bis(trifluoromethyl)cyclohexa-1,5-diene-1-carboxylic acid Formula: C16H10F6O4 MolecularWeight: 380.238619

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(C1C2=CC=C(C=C2)C(=O)O)(C(F)(F)F)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC(C1C2=CC=C(C=C2)C(=O)O)(C(F)(F)F)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H10F6O4/c17-15(18,19)14(16(20,21)22)7-10(13(25)26)5-6-11(14)8-1-3-9(4-2-8)12(23)24/h1-7,11H,(H,23,24)(H,25,26)