[8-(2,5-dicarboxyphenyl)-5-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium chloride

Systemtic Name: [8-(2,5-dicarboxyphenyl)-5-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium chloride Openeye Name: [8-(2,5-dicarboxyphenyl)-5-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium chloride CAS Name: [8-(2,5-dicarboxyphenyl)-5-(dimethylamino)-3-xanthenylidene]-dimethylammonium chloride IUPAC Name: [8-(2,5-dicarboxyphenyl)-5-(dimethylamino)xanthen-3-ylidene]-dimethylazanium chloride Traditional Name: [8-(2,5-dicarboxyphenyl)-5-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium chloride Formula: C25H23ClN2O5 MolecularWeight: 466.91352

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C2C(=C(C=C1)C3=C(C=CC(=C3)C(=O)O)C(=O)O)C=C4C=CC(=[N+](C)C)C=C4O2.[Cl-]

Isomeric SMILES

CN(C)C1=C2C(=C(C=C1)C3=C(C=CC(=C3)C(=O)O)C(=O)O)C=C4C=CC(=[N+](C)C)C=C4O2.[Cl-]

InChI

InChI=1S/C25H22N2O5.ClH/c1-26(2)16-7-5-14-11-20-17(9-10-21(27(3)4)23(20)32-22(14)13-16)19-12-15(24(28)29)6-8-18(19)25(30)31;/h5-13H,1-4H3,(H-,28,29,30,31);1H