3-carboxy-4-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]benzoate

Systemtic Name: 3-carboxy-4-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]benzoate Openeye Name: 3-carboxy-4-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]benzoate CAS Name: 3-carboxy-4-[3-(dimethylamino)-6-dimethyliminio-9-xanthenyl]benzoate IUPAC Name: 3-carboxy-4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate Traditional Name: 3-carboxy-4-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]benzoate Formula: C25H22N2O5 MolecularWeight: 430.45258

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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)