(5-oxidanyl-6-oxidanylidene-1H-pyridin-3-yl) 2-methyl-5-(2-methylbutan-2-yl)benzenesulfinate

Systemtic Name: (5-oxidanyl-6-oxidanylidene-1H-pyridin-3-yl) 2-methyl-5-(2-methylbutan-2-yl)benzenesulfinate Openeye Name: (5-hydroxy-6-oxo-1H-pyridin-3-yl) 5-(1,1-dimethylpropyl)-2-methyl-benzenesulfinate CAS Name: 2-methyl-5-(2-methylbutan-2-yl)benzenesulfinic acid (5-hydroxy-6-oxo-1H-pyridin-3-yl) ester IUPAC Name: (5-hydroxy-6-oxo-1H-pyridin-3-yl) 2-methyl-5-(2-methylbutan-2-yl)benzenesulfinate Traditional Name: 5-tert-amyl-2-methyl-benzenesulfinic acid (5-hydroxy-6-keto-1H-pyridin-3-yl) ester Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)C)S(=O)OC2=CNC(=O)C(=C2)O

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)C)S(=O)OC2=CNC(=O)C(=C2)O

InChI

InChI=1S/C17H21NO4S/c1-5-17(3,4)12-7-6-11(2)15(8-12)23(21)22-13-9-14(19)16(20)18-10-13/h6-10,19H,5H2,1-4H3,(H,18,20)