(2-butyl-4-methyl-3-nitro-6-oxidanylidene-pyridin-1-yl) benzenesulfonate

Systemtic Name: (2-butyl-4-methyl-3-nitro-6-oxidanylidene-pyridin-1-yl) benzenesulfonate Openeye Name: (2-butyl-4-methyl-3-nitro-6-oxo-1-pyridyl) benzenesulfonate CAS Name: benzenesulfonic acid (2-butyl-4-methyl-3-nitro-6-oxo-1-pyridinyl) ester IUPAC Name: (2-butyl-4-methyl-3-nitro-6-oxopyridin-1-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (2-butyl-6-keto-4-methyl-3-nitro-1-pyridyl) ester Formula: C16H18N2O6S MolecularWeight: 366.38892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC(=O)N1OS(=O)(=O)C2=CC=CC=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C(=CC(=O)N1OS(=O)(=O)C2=CC=CC=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O6S/c1-3-4-10-14-16(18(20)21)12(2)11-15(19)17(14)24-25(22,23)13-8-6-5-7-9-13/h5-9,11H,3-4,10H2,1-2H3