4-[3-azanyl-2,7-bis(fluoranyl)-6-oxidanylidene-4-sulfo-xanthen-9-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[3-azanyl-2,7-bis(fluoranyl)-6-oxidanylidene-4-sulfo-xanthen-9-yl]benzene-1,3-dicarboxylic acid Openeye Name: 4-(3-amino-2,7-difluoro-6-oxo-4-sulfo-xanthen-9-yl)benzene-1,3-dicarboxylic acid CAS Name: 4-(3-amino-2,7-difluoro-6-oxo-4-sulfo-9-xanthenyl)benzene-1,3-dicarboxylic acid IUPAC Name: 4-(3-amino-2,7-difluoro-6-oxo-4-sulfoxanthen-9-yl)benzene-1,3-dicarboxylic acid Traditional Name: 4-(3-amino-2,7-difluoro-6-keto-4-sulfo-xanthen-9-yl)isophthalic acid Formula: C21H11F2NO9S MolecularWeight: 491.375146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)C(=O)O)C2=C3C=C(C(=O)C=C3OC4=C(C(=C(C=C24)F)N)S(=O)(=O)O)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)C(=O)O)C2=C3C=C(C(=O)C=C3OC4=C(C(=C(C=C24)F)N)S(=O)(=O)O)F

InChI

InChI=1S/C21H11F2NO9S/c22-12-4-10-15(6-14(12)25)33-18-11(5-13(23)17(24)19(18)34(30,31)32)16(10)8-2-1-7(20(26)27)3-9(8)21(28)29/h1-6H,24H2,(H,26,27)(H,28,29)(H,30,31,32)