1-phenyl-9-(trifluoromethyl)-9H-xanthene-2,7-dicarboxylic acid

Systemtic Name: 1-phenyl-9-(trifluoromethyl)-9H-xanthene-2,7-dicarboxylic acid Openeye Name: 1-phenyl-9-(trifluoromethyl)-9H-xanthene-2,7-dicarboxylic acid CAS Name: 1-phenyl-9-(trifluoromethyl)-9H-xanthene-2,7-dicarboxylic acid IUPAC Name: 1-phenyl-9-(trifluoromethyl)-9H-xanthene-2,7-dicarboxylic acid Traditional Name: 1-phenyl-9-(trifluoromethyl)-9H-xanthene-2,7-dicarboxylic acid Formula: C22H13F3O5 MolecularWeight: 414.33083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC3=C2C(C4=C(O3)C=CC(=C4)C(=O)O)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC3=C2C(C4=C(O3)C=CC(=C4)C(=O)O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C22H13F3O5/c23-22(24,25)19-14-10-12(20(26)27)6-8-15(14)30-16-9-7-13(21(28)29)17(18(16)19)11-4-2-1-3-5-11/h1-10,19H,(H,26,27)(H,28,29)