dimethyl 1,2,6-trimethyl-4-(9-oxidanylidenexanthen-4-yl)pyridin-1-ium-3,5-dicarboxylate; methyl sulfate

Systemtic Name: dimethyl 1,2,6-trimethyl-4-(9-oxidanylidenexanthen-4-yl)pyridin-1-ium-3,5-dicarboxylate; methyl sulfate Openeye Name: dimethyl 1,2,6-trimethyl-4-(9-oxoxanthen-4-yl)pyridin-1-ium-3,5-dicarboxylate; methyl sulfate CAS Name: methyl sulfate; 1,2,6-trimethyl-4-(9-oxo-4-xanthenyl)pyridin-1-ium-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1,2,6-trimethyl-4-(9-oxoxanthen-4-yl)pyridin-1-ium-3,5-dicarboxylate; methyl sulfate Traditional Name: 4-(9-ketoxanthen-4-yl)-1,2,6-trimethyl-pyridin-1-ium-3,5-dicarboxylic acid dimethyl ester; methyl sulfate Formula: C26H25NO10S MolecularWeight: 543.5424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=[N+]1C)C)C(=O)OC)C2=CC=CC3=C2OC4=CC=CC=C4C3=O)C(=O)OC.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C(=[N+]1C)C)C(=O)OC)C2=CC=CC3=C2OC4=CC=CC=C4C3=O)C(=O)OC.COS(=O)(=O)[O-]

InChI

InChI=1S/C25H22NO6.CH4O4S/c1-13-19(24(28)30-4)21(20(25(29)31-5)14(2)26(13)3)16-10-8-11-17-22(27)15-9-6-7-12-18(15)32-23(16)17;1-5-6(2,3)4/h6-12H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1