4-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]benzene-1,3-dicarboxylate

Systemtic Name: 4-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]benzene-1,3-dicarboxylate Openeye Name: 4-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]benzene-1,3-dicarboxylate CAS Name: 4-[3-(dimethylamino)-6-dimethyliminio-9-xanthenyl]benzene-1,3-dicarboxylate IUPAC Name: 4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzene-1,3-dicarboxylate Traditional Name: 4-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]isophthalate Formula: C25H21N2O5- MolecularWeight: 429.44464

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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)C4=C(C=C(C=C4)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)C(=O)[O-])C(=O)[O-]

InChI

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