5-methyl-4-(trifluoromethyl)-9H-xanthene-1,2,3,9-tetracarboxylic acid

Systemtic Name: 5-methyl-4-(trifluoromethyl)-9H-xanthene-1,2,3,9-tetracarboxylic acid Openeye Name: 5-methyl-4-(trifluoromethyl)-9H-xanthene-1,2,3,9-tetracarboxylic acid CAS Name: 5-methyl-4-(trifluoromethyl)-9H-xanthene-1,2,3,9-tetracarboxylic acid IUPAC Name: 5-methyl-4-(trifluoromethyl)-9H-xanthene-1,2,3,9-tetracarboxylic acid Traditional Name: 5-methyl-4-(trifluoromethyl)-9H-xanthene-1,2,3,9-tetracarboxylic acid Formula: C19H11F3O9 MolecularWeight: 440.28045

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC3=C(C2C(=O)O)C(=C(C(=C3C(F)(F)F)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC2=C1OC3=C(C2C(=O)O)C(=C(C(=C3C(F)(F)F)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C19H11F3O9/c1-5-3-2-4-6-7(15(23)24)8-9(16(25)26)10(17(27)28)11(18(29)30)12(19(20,21)22)14(8)31-13(5)6/h2-4,7H,1H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)