4-[4,5-bis(fluoranyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[4,5-bis(fluoranyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzene-1,3-dicarboxylic acid Openeye Name: 4-(4,5-difluoro-3-hydroxy-6-oxo-xanthen-9-yl)benzene-1,3-dicarboxylic acid CAS Name: 4-(4,5-difluoro-3-hydroxy-6-oxo-9-xanthenyl)benzene-1,3-dicarboxylic acid IUPAC Name: 4-(4,5-difluoro-3-hydroxy-6-oxoxanthen-9-yl)benzene-1,3-dicarboxylic acid Traditional Name: 4-(4,5-difluoro-3-hydroxy-6-keto-xanthen-9-yl)isophthalic acid Formula: C21H10F2O7 MolecularWeight: 412.296706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)C(=O)O)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4F)O)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)C(=O)O)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4F)O)F

InChI

InChI=1S/C21H10F2O7/c22-16-13(24)5-3-10-15(9-2-1-8(20(26)27)7-12(9)21(28)29)11-4-6-14(25)17(23)19(11)30-18(10)16/h1-7,24H,(H,26,27)(H,28,29)