5-phenyl-3,4-bis(trifluoromethyl)cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid

Systemtic Name: 5-phenyl-3,4-bis(trifluoromethyl)cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid Openeye Name: 5-phenyl-3,4-bis(trifluoromethyl)cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid CAS Name: 5-phenyl-3,4-bis(trifluoromethyl)cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid IUPAC Name: 5-phenyl-3,4-bis(trifluoromethyl)cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid Traditional Name: 5-phenyl-3,4-bis(trifluoromethyl)cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid Formula: C18H10F6O8 MolecularWeight: 468.257619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(C(C(=C2C(F)(F)F)C(F)(F)F)(C(=O)O)C(=O)O)(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(C(C(=C2C(F)(F)F)C(F)(F)F)(C(=O)O)C(=O)O)(C(=O)O)C(=O)O

InChI

InChI=1S/C18H10F6O8/c19-17(20,21)9-8(7-4-2-1-3-5-7)6-15(11(25)26,12(27)28)16(13(29)30,14(31)32)10(9)18(22,23)24/h1-6H,(H,25,26)(H,27,28)(H,29,30)(H,31,32)