4-[(3-butyl-4-methyl-2-oxidanyl-6-oxidanylidene-pyridin-1-yl)methyl]benzenesulfonic acid

Systemtic Name: 4-[(3-butyl-4-methyl-2-oxidanyl-6-oxidanylidene-pyridin-1-yl)methyl]benzenesulfonic acid Openeye Name: 4-[(3-butyl-2-hydroxy-4-methyl-6-oxo-1-pyridyl)methyl]benzenesulfonic acid CAS Name: 4-[(3-butyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)methyl]benzenesulfonic acid IUPAC Name: 4-[(3-butyl-2-hydroxy-4-methyl-6-oxopyridin-1-yl)methyl]benzenesulfonic acid Traditional Name: 4-[(3-butyl-2-hydroxy-6-keto-4-methyl-1-pyridyl)methyl]besylic acid Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=O)C=C1C)CC2=CC=C(C=C2)S(=O)(=O)O)O

Isomeric SMILES

CCCCC1=C(N(C(=O)C=C1C)CC2=CC=C(C=C2)S(=O)(=O)O)O

InChI

InChI=1S/C17H21NO5S/c1-3-4-5-15-12(2)10-16(19)18(17(15)20)11-13-6-8-14(9-7-13)24(21,22)23/h6-10,20H,3-5,11H2,1-2H3,(H,21,22,23)