3-azanyl-6-azanylidene-9-(2,4-dicarboxyphenyl)xanthene-4,5-disulfonate

Systemtic Name: 3-azanyl-6-azanylidene-9-(2,4-dicarboxyphenyl)xanthene-4,5-disulfonate Openeye Name: 3-amino-9-(2,4-dicarboxyphenyl)-6-imino-xanthene-4,5-disulfonate CAS Name: 3-amino-9-(2,4-dicarboxyphenyl)-6-iminoxanthene-4,5-disulfonate IUPAC Name: 3-amino-9-(2,4-dicarboxyphenyl)-6-iminoxanthene-4,5-disulfonate Traditional Name: 3-amino-9-(2,4-dicarboxyphenyl)-6-imino-xanthene-4,5-disulfonate Formula: C21H12N2O11S2-2 MolecularWeight: 532.45678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)C(=O)O)C2=C3C=CC(=N)C(=C3OC4=C2C=CC(=C4S(=O)(=O)[O-])N)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)C(=O)O)C2=C3C=CC(=N)C(=C3OC4=C2C=CC(=C4S(=O)(=O)[O-])N)S(=O)(=O)[O-]

InChI

InChI=1S/C21H14N2O11S2/c22-13-5-3-10-15(9-2-1-8(20(24)25)7-12(9)21(26)27)11-4-6-14(23)19(36(31,32)33)17(11)34-16(10)18(13)35(28,29)30/h1-7,22H,23H2,(H,24,25)(H,26,27)(H,28,29,30)(H,31,32,33)/p-2