3-azanyl-9-(2,4-dicarboxyphenyl)-2,7-bis(fluoranyl)-6-oxidanylidene-xanthene-4-sulfonate

Systemtic Name: 3-azanyl-9-(2,4-dicarboxyphenyl)-2,7-bis(fluoranyl)-6-oxidanylidene-xanthene-4-sulfonate Openeye Name: 3-amino-9-(2,4-dicarboxyphenyl)-2,7-difluoro-6-oxo-xanthene-4-sulfonate CAS Name: 3-amino-9-(2,4-dicarboxyphenyl)-2,7-difluoro-6-oxo-4-xanthenesulfonate IUPAC Name: 3-amino-9-(2,4-dicarboxyphenyl)-2,7-difluoro-6-oxoxanthene-4-sulfonate Traditional Name: 3-amino-9-(2,4-dicarboxyphenyl)-2,7-difluoro-6-keto-xanthene-4-sulfonate Formula: C21H10F2NO9S- MolecularWeight: 490.367206

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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)/p-1