5-phenyl-3,3-bis(trifluoromethyl)cyclohexane-1,1,2,2-tetracarboxylic acid

Systemtic Name: 5-phenyl-3,3-bis(trifluoromethyl)cyclohexane-1,1,2,2-tetracarboxylic acid Openeye Name: 5-phenyl-3,3-bis(trifluoromethyl)cyclohexane-1,1,2,2-tetracarboxylic acid CAS Name: 5-phenyl-3,3-bis(trifluoromethyl)cyclohexane-1,1,2,2-tetracarboxylic acid IUPAC Name: 5-phenyl-3,3-bis(trifluoromethyl)cyclohexane-1,1,2,2-tetracarboxylic acid Traditional Name: 5-phenyl-3,3-bis(trifluoromethyl)cyclohexane-1,1,2,2-tetracarboxylic acid Formula: C18H14F6O8 MolecularWeight: 472.289379

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(C(C1(C(=O)O)C(=O)O)(C(=O)O)C(=O)O)(C(F)(F)F)C(F)(F)F)C2=CC=CC=C2

Isomeric SMILES

C1C(CC(C(C1(C(=O)O)C(=O)O)(C(=O)O)C(=O)O)(C(F)(F)F)C(F)(F)F)C2=CC=CC=C2

InChI

InChI=1S/C18H14F6O8/c19-17(20,21)15(18(22,23)24)7-9(8-4-2-1-3-5-8)6-14(10(25)26,11(27)28)16(15,12(29)30)13(31)32/h1-5,9H,6-7H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)