methyl 3-oxidanyl-9-oxidanylidene-4-[4-(trifluoromethyl)phenyl]xanthene-2-carboxylate

Systemtic Name: methyl 3-oxidanyl-9-oxidanylidene-4-[4-(trifluoromethyl)phenyl]xanthene-2-carboxylate Openeye Name: methyl 3-hydroxy-9-oxo-4-[4-(trifluoromethyl)phenyl]xanthene-2-carboxylate CAS Name: 3-hydroxy-9-oxo-4-[4-(trifluoromethyl)phenyl]-2-xanthenecarboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-9-oxo-4-[4-(trifluoromethyl)phenyl]xanthene-2-carboxylate Traditional Name: 3-hydroxy-9-keto-4-[4-(trifluoromethyl)phenyl]xanthene-2-carboxylic acid methyl ester Formula: C22H13F3O5 MolecularWeight: 414.33083

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C2C(=C1)C(=O)C3=CC=CC=C3O2)C4=CC=C(C=C4)C(F)(F)F)O

Isomeric SMILES

COC(=O)C1=C(C(=C2C(=C1)C(=O)C3=CC=CC=C3O2)C4=CC=C(C=C4)C(F)(F)F)O

InChI

InChI=1S/C22H13F3O5/c1-29-21(28)15-10-14-18(26)13-4-2-3-5-16(13)30-20(14)17(19(15)27)11-6-8-12(9-7-11)22(23,24)25/h2-10,27H,1H3