3-(3-methanoylpyridin-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(3-methanoylpyridin-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(3-formylpyridin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(3-formyl-1-pyridin-1-iumyl)-1-propanesulfonate IUPAC Name: 3-(3-formylpyridin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(3-formylpyridin-1-ium-1-yl)propane-1-sulfonate Formula: C9H11NO4S MolecularWeight: 229.25294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCCS(=O)(=O)[O-])C=O

Isomeric SMILES

C1=CC(=C[N+](=C1)CCCS(=O)(=O)[O-])C=O

InChI

InChI=1S/C9H11NO4S/c11-8-9-3-1-4-10(7-9)5-2-6-15(12,13)14/h1,3-4,7-8H,2,5-6H2