[3-(oxidanidylperoxysulfanylmethyl)imidazol-3-ium-1-yl]methyl prop-2-enoate

Systemtic Name: [3-(oxidanidylperoxysulfanylmethyl)imidazol-3-ium-1-yl]methyl prop-2-enoate Openeye Name: [3-(oxidoperoxysulfanylmethyl)imidazol-3-ium-1-yl]methyl prop-2-enoate CAS Name: 2-propenoic acid [3-[(oxidodioxythio)methyl]-1-imidazol-3-iumyl]methyl ester IUPAC Name: [3-(oxidoperoxysulfanylmethyl)imidazol-3-ium-1-yl]methyl prop-2-enoate Traditional Name: acrylic acid [3-[(oxidoperoxythio)methyl]imidazol-3-ium-1-yl]methyl ester Formula: C8H10N2O5S MolecularWeight: 246.2404

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OCN1C=C[N+](=C1)CSOO[O-]

Isomeric SMILES

C=CC(=O)OCN1C=C[N+](=C1)CSOO[O-]

InChI

InChI=1S/C8H10N2O5S/c1-2-8(11)13-6-9-3-4-10(5-9)7-16-15-14-12/h2-5H,1,6-7H2