(E)-3-methylsulfonyl-4-(1-oxidanidylpyridin-1-ium-3-yl)but-3-en-2-one

Systemtic Name: (E)-3-methylsulfonyl-4-(1-oxidanidylpyridin-1-ium-3-yl)but-3-en-2-one Openeye Name: (E)-3-methylsulfonyl-4-(1-oxidopyridin-1-ium-3-yl)but-3-en-2-one CAS Name: (E)-3-methylsulfonyl-4-(1-oxido-3-pyridin-1-iumyl)-3-buten-2-one IUPAC Name: (E)-3-methylsulfonyl-4-(1-oxidopyridin-1-ium-3-yl)but-3-en-2-one Traditional Name: (E)-3-mesyl-4-(1-oxidopyridin-1-ium-3-yl)but-3-en-2-one Formula: C10H11NO4S MolecularWeight: 241.26364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=C[N+](=CC=C1)[O-])S(=O)(=O)C

Isomeric SMILES

CC(=O)/C(=C\C1=C[N+](=CC=C1)[O-])/S(=O)(=O)C

InChI

InChI=1S/C10H11NO4S/c1-8(12)10(16(2,14)15)6-9-4-3-5-11(13)7-9/h3-7H,1-2H3/b10-6+