1,1,2,2-tetrakis[3-(trifluoromethyl)phenyl]ethane-1,2-diol

Systemtic Name: 1,1,2,2-tetrakis[3-(trifluoromethyl)phenyl]ethane-1,2-diol Openeye Name: 1,1,2,2-tetrakis[3-(trifluoromethyl)phenyl]ethane-1,2-diol CAS Name: 1,1,2,2-tetrakis[3-(trifluoromethyl)phenyl]ethane-1,2-diol IUPAC Name: 1,1,2,2-tetrakis[3-(trifluoromethyl)phenyl]ethane-1,2-diol Traditional Name: 1,1,2,2-tetrakis[3-(trifluoromethyl)phenyl]ethane-1,2-diol Formula: C30H18F12O2 MolecularWeight: 638.443558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C(C2=CC(=CC=C2)C(F)(F)F)(C(C3=CC(=CC=C3)C(F)(F)F)(C4=CC(=CC=C4)C(F)(F)F)O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C(C2=CC(=CC=C2)C(F)(F)F)(C(C3=CC(=CC=C3)C(F)(F)F)(C4=CC(=CC=C4)C(F)(F)F)O)O

InChI

InChI=1S/C30H18F12O2/c31-27(32,33)21-9-1-5-17(13-21)25(43,18-6-2-10-22(14-18)28(34,35)36)26(44,19-7-3-11-23(15-19)29(37,38)39)20-8-4-12-24(16-20)30(40,41)42/h1-16,43-44H