[9-[2-(acetyloxymethoxycarbonyl)-3-azanyl-4-(methylamino)phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium iodide

Systemtic Name: [9-[2-(acetyloxymethoxycarbonyl)-3-azanyl-4-(methylamino)phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium iodide Openeye Name: [9-[2-(acetoxymethoxycarbonyl)-3-amino-4-(methylamino)phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium iodide CAS Name: [9-[2-[acetyloxymethoxy(oxo)methyl]-3-amino-4-(methylamino)phenyl]-6-(dimethylamino)-3-xanthenylidene]-dimethylammonium iodide IUPAC Name: [9-[2-(acetyloxymethoxycarbonyl)-3-amino-4-(methylamino)phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium iodide Traditional Name: [9-[2-(acetoxymethoxycarbonyl)-3-amino-4-(methylamino)phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium iodide Formula: C28H31IN4O5 MolecularWeight: 630.47401

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCOC(=O)C1=C(C=CC(=C1N)NC)C2=C3C=CC(=[N+](C)C)C=C3OC4=C2C=CC(=C4)N(C)C.[I-]

Isomeric SMILES

CC(=O)OCOC(=O)C1=C(C=CC(=C1N)NC)C2=C3C=CC(=[N+](C)C)C=C3OC4=C2C=CC(=C4)N(C)C.[I-]

InChI

InChI=1S/C28H30N4O5.HI/c1-16(33)35-15-36-28(34)26-21(11-12-22(30-2)27(26)29)25-19-9-7-17(31(3)4)13-23(19)37-24-14-18(32(5)6)8-10-20(24)25;/h7-14H,15H2,1-6H3,(H2,29,34);1H