zinc [9-(2-carboxyethyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium trichloride

Systemtic Name: zinc [9-(2-carboxyethyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium trichloride Openeye Name: zinc [9-(2-carboxyethyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium trichloride CAS Name: zinc [9-(2-carboxyethyl)-6-(dimethylamino)-3-xanthenylidene]-dimethylammonium trichloride IUPAC Name: zinc [9-(2-carboxyethyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium trichloride Traditional Name: zinc [9-(2-carboxyethyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium trichloride Formula: C20H23Cl3N2O3Zn MolecularWeight: 511.17622

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)CCC(=O)O.[Cl-].[Cl-].[Cl-].[Zn+2]

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)CCC(=O)O.[Cl-].[Cl-].[Cl-].[Zn+2]

InChI

InChI=1S/C20H22N2O3.3ClH.Zn/c1-21(2)13-5-7-16-15(9-10-20(23)24)17-8-6-14(22(3)4)12-19(17)25-18(16)11-13;;;;/h5-8,11-12H,9-10H2,1-4H3;3*1H;/q;;;;+2/p-2