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9,9-bis(trifluoromethyl)xanthene-2,3,6,7-tetracarboxylic acid

9,9-bis(trifluoromethyl)xanthene-2,3,6,7-tetracarboxylic acid

Systemtic Name:9,9-bis(trifluoromethyl)xanthene-2,3,6,7-tetracarboxylic acid
Openeye Name:9,9-bis(trifluoromethyl)xanthene-2,3,6,7-tetracarboxylic acid
CAS Name:9,9-bis(trifluoromethyl)xanthene-2,3,6,7-tetracarboxylic acid
IUPAC Name:9,9-bis(trifluoromethyl)xanthene-2,3,6,7-tetracarboxylic acid
Traditional Name:9,9-bis(trifluoromethyl)xanthene-2,3,6,7-tetracarboxylic acid
Formula: C19H8F6O9
MolecularWeight: 494.251839
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC2=C1C(C3=C(O2)C=C(C(=C3)C(=O)O)C(=O)O)(C(F)(F)F)C(F)(F)F)C(=O)O)C(=O)O


Isomeric SMILES

C1=C(C(=CC2=C1C(C3=C(O2)C=C(C(=C3)C(=O)O)C(=O)O)(C(F)(F)F)C(F)(F)F)C(=O)O)C(=O)O


InChI

InChI=1S/C19H8F6O9/c20-18(21,22)17(19(23,24)25)9-1-5(13(26)27)7(15(30)31)3-11(9)34-12-4-8(16(32)33)6(14(28)29)2-10(12)17/h1-4H,(H,26,27)(H,28,29)(H,30,31)(H,32,33)


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