O3-methyl O1-(1-sulfooxyhexyl) 2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-1,3-dicarboxylate

Systemtic Name: O3-methyl O1-(1-sulfooxyhexyl) 2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-1,3-dicarboxylate Openeye Name: O3-methyl O1-(1-sulfooxyhexyl) 2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-1,3-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-1,3-dicarboxylic acid O3-methyl ester O1-(1-sulfooxyhexyl) ester IUPAC Name: 3-O-methyl 1-O-(1-sulfooxyhexyl) 2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-1,3-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-1,3-dicarboxylic acid O3-methyl ester O1-(1-sulfoxyhexyl) ester Formula: C22H28N2O10S MolecularWeight: 512.53012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(OC(=O)N1C(=CC(C(=C1C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C)OS(=O)(=O)O

Isomeric SMILES

CCCCCC(OC(=O)N1C(=CC(C(=C1C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C)OS(=O)(=O)O

InChI

InChI=1S/C22H28N2O10S/c1-5-6-7-11-19(34-35(29,30)31)33-22(26)23-14(2)12-18(20(15(23)3)21(25)32-4)16-9-8-10-17(13-16)24(27)28/h8-10,12-13,18-19H,5-7,11H2,1-4H3,(H,29,30,31)