2-[9-oxidanylidene-5-(trifluoromethyl)xanthen-4-yl]ethanoic acid

Systemtic Name: 2-[9-oxidanylidene-5-(trifluoromethyl)xanthen-4-yl]ethanoic acid Openeye Name: 2-[9-oxo-5-(trifluoromethyl)xanthen-4-yl]acetic acid CAS Name: 2-[9-oxo-5-(trifluoromethyl)-4-xanthenyl]acetic acid IUPAC Name: 2-[9-oxo-5-(trifluoromethyl)xanthen-4-yl]acetic acid Traditional Name: 2-[9-keto-5-(trifluoromethyl)xanthen-4-yl]acetic acid Formula: C16H9F3O4 MolecularWeight: 322.23547

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CC(=O)O)OC3=C(C2=O)C=CC=C3C(F)(F)F

Isomeric SMILES

C1=CC2=C(C(=C1)CC(=O)O)OC3=C(C2=O)C=CC=C3C(F)(F)F

InChI

InChI=1S/C16H9F3O4/c17-16(18,19)11-6-2-5-10-13(22)9-4-1-3-8(7-12(20)21)14(9)23-15(10)11/h1-6H,7H2,(H,20,21)