4-[2,7-bis(fluoranyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]-3-methyl-benzoic acid

Systemtic Name: 4-[2,7-bis(fluoranyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]-3-methyl-benzoic acid Openeye Name: 4-(2,7-difluoro-3-hydroxy-6-oxo-xanthen-9-yl)-3-methyl-benzoic acid CAS Name: 4-(2,7-difluoro-3-hydroxy-6-oxo-9-xanthenyl)-3-methylbenzoic acid IUPAC Name: 4-(2,7-difluoro-3-hydroxy-6-oxoxanthen-9-yl)-3-methylbenzoic acid Traditional Name: 4-(2,7-difluoro-3-hydroxy-6-keto-xanthen-9-yl)-3-methyl-benzoic acid Formula: C21H12F2O5 MolecularWeight: 382.313786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)F)O)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)F)O)F

InChI

InChI=1S/C21H12F2O5/c1-9-4-10(21(26)27)2-3-11(9)20-12-5-14(22)16(24)7-18(12)28-19-8-17(25)15(23)6-13(19)20/h2-8,24H,1H3,(H,26,27)