[9-(2-carboxy-4-ethanoyl-phenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium

Systemtic Name: [9-(2-carboxy-4-ethanoyl-phenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium Openeye Name: [9-(4-acetyl-2-carboxy-phenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium CAS Name: [9-(4-acetyl-2-carboxyphenyl)-6-(dimethylamino)-3-xanthenylidene]-dimethylammonium IUPAC Name: [9-(4-acetyl-2-carboxyphenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium Traditional Name: [9-(4-acetyl-2-carboxy-phenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium Formula: C26H25N2O4+ MolecularWeight: 429.4877

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)C2=C3C=CC(=[N+](C)C)C=C3OC4=C2C=CC(=C4)N(C)C)C(=O)O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)C2=C3C=CC(=[N+](C)C)C=C3OC4=C2C=CC(=C4)N(C)C)C(=O)O

InChI

InChI=1S/C26H24N2O4/c1-15(29)16-6-9-19(22(12-16)26(30)31)25-20-10-7-17(27(2)3)13-23(20)32-24-14-18(28(4)5)8-11-21(24)25/h6-14H,1-5H3/p+1