2-[4,5-bis(fluoranyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]terephthalic acid

Systemtic Name: 2-[4,5-bis(fluoranyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]terephthalic acid Openeye Name: 2-(4,5-difluoro-3-hydroxy-6-oxo-xanthen-9-yl)terephthalic acid CAS Name: 2-(4,5-difluoro-3-hydroxy-6-oxo-9-xanthenyl)terephthalic acid IUPAC Name: 2-(4,5-difluoro-3-hydroxy-6-oxoxanthen-9-yl)terephthalic acid Traditional Name: 2-(4,5-difluoro-3-hydroxy-6-keto-xanthen-9-yl)terephthalic acid Formula: C21H10F2O7 MolecularWeight: 412.296706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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