4-(3-azanyl-2-fluoranyl-6-oxidanylidene-xanthen-9-yl)benzene-1,3-dicarboxylic acid

Systemtic Name: 4-(3-azanyl-2-fluoranyl-6-oxidanylidene-xanthen-9-yl)benzene-1,3-dicarboxylic acid Openeye Name: 4-(3-amino-2-fluoro-6-oxo-xanthen-9-yl)benzene-1,3-dicarboxylic acid CAS Name: 4-(3-amino-2-fluoro-6-oxo-9-xanthenyl)benzene-1,3-dicarboxylic acid IUPAC Name: 4-(3-amino-2-fluoro-6-oxoxanthen-9-yl)benzene-1,3-dicarboxylic acid Traditional Name: 4-(3-amino-2-fluoro-6-keto-xanthen-9-yl)isophthalic acid Formula: C21H12FNO6 MolecularWeight: 393.321483

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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=CC(=C(C=C42)F)N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)C(=O)O)C2=C3C=CC(=O)C=C3OC4=CC(=C(C=C42)F)N

InChI

InChI=1S/C21H12FNO6/c22-15-7-14-18(8-16(15)23)29-17-6-10(24)2-4-12(17)19(14)11-3-1-9(20(25)26)5-13(11)21(27)28/h1-8H,23H2,(H,25,26)(H,27,28)