[9-[4-(acetyloxymethoxycarbonyl)-1-methyl-benzotriazol-5-yl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium

Systemtic Name: [9-[4-(acetyloxymethoxycarbonyl)-1-methyl-benzotriazol-5-yl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium Openeye Name: [9-[4-(acetoxymethoxycarbonyl)-1-methyl-benzotriazol-5-yl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium CAS Name: [9-[4-[acetyloxymethoxy(oxo)methyl]-1-methyl-5-benzotriazolyl]-6-(dimethylamino)-3-xanthenylidene]-dimethylammonium IUPAC Name: [9-[4-(acetyloxymethoxycarbonyl)-1-methylbenzotriazol-5-yl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium Traditional Name: [9-[4-(acetoxymethoxycarbonyl)-1-methyl-benzotriazol-5-yl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium Formula: C28H28N5O5+ MolecularWeight: 514.55242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCOC(=O)C1=C(C=CC2=C1N=NN2C)C3=C4C=CC(=[N+](C)C)C=C4OC5=C3C=CC(=C5)N(C)C

Isomeric SMILES

CC(=O)OCOC(=O)C1=C(C=CC2=C1N=NN2C)C3=C4C=CC(=[N+](C)C)C=C4OC5=C3C=CC(=C5)N(C)C

InChI

InChI=1S/C28H28N5O5/c1-16(34)36-15-37-28(35)26-21(11-12-22-27(26)29-30-33(22)6)25-19-9-7-17(31(2)3)13-23(19)38-24-14-18(32(4)5)8-10-20(24)25/h7-14H,15H2,1-6H3/q+1