3-(3-prop-2-enoxycarbonylpyridin-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(3-prop-2-enoxycarbonylpyridin-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(3-allyloxycarbonylpyridin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-[3-[oxo(prop-2-enoxy)methyl]-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-(3-prop-2-enoxycarbonylpyridin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(3-allyloxycarbonylpyridin-1-ium-1-yl)propane-1-sulfonate Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5S/c1-2-8-18-12(14)11-5-3-6-13(10-11)7-4-9-19(15,16)17/h2-3,5-6,10H,1,4,7-9H2