3-[(1-oxidanidylpyridin-1-ium-3-yl)methylsulfonyl]propanoate

Systemtic Name: 3-[(1-oxidanidylpyridin-1-ium-3-yl)methylsulfonyl]propanoate Openeye Name: 3-[(1-oxidopyridin-1-ium-3-yl)methylsulfonyl]propanoate CAS Name: 3-[(1-oxido-3-pyridin-1-iumyl)methylsulfonyl]propanoate IUPAC Name: 3-[(1-oxidopyridin-1-ium-3-yl)methylsulfonyl]propanoate Traditional Name: 3-[(1-oxidopyridin-1-ium-3-yl)methylsulfonyl]propionate Formula: C9H10NO5S- MolecularWeight: 244.2444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO5S/c11-9(12)3-5-16(14,15)7-8-2-1-4-10(13)6-8/h1-2,4,6H,3,5,7H2,(H,11,12)/p-1