3-(3-methoxy-2-oxidanylidene-pyridin-1-yl)propane-1-sulfonic acid

Systemtic Name: 3-(3-methoxy-2-oxidanylidene-pyridin-1-yl)propane-1-sulfonic acid Openeye Name: 3-(3-methoxy-2-oxo-1-pyridyl)propane-1-sulfonic acid CAS Name: 3-(3-methoxy-2-oxo-1-pyridinyl)-1-propanesulfonic acid IUPAC Name: 3-(3-methoxy-2-oxopyridin-1-yl)propane-1-sulfonic acid Traditional Name: 3-(2-keto-3-methoxy-1-pyridyl)propane-1-sulfonic acid Formula: C9H13NO5S MolecularWeight: 247.26822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CN(C1=O)CCCS(=O)(=O)O

Isomeric SMILES

COC1=CC=CN(C1=O)CCCS(=O)(=O)O

InChI

InChI=1S/C9H13NO5S/c1-15-8-4-2-5-10(9(8)11)6-3-7-16(12,13)14/h2,4-5H,3,6-7H2,1H3,(H,12,13,14)