1,3-bis[(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl]propan-2-one

Systemtic Name: 1,3-bis[(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl]propan-2-one Openeye Name: 1,3-bis[(1-oxidopyridin-1-ium-2-yl)sulfanyl]propan-2-one CAS Name: 1,3-bis[(1-oxido-2-pyridin-1-iumyl)thio]-2-propanone IUPAC Name: 1,3-bis[(1-oxidopyridin-1-ium-2-yl)sulfanyl]propan-2-one Traditional Name: 1,3-bis[(1-oxidopyridin-1-ium-2-yl)thio]acetone Formula: C13H12N2O3S2 MolecularWeight: 308.37598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)CSC2=CC=CC=[N+]2[O-])[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)CSC2=CC=CC=[N+]2[O-])[O-]

InChI

InChI=1S/C13H12N2O3S2/c16-11(9-19-12-5-1-3-7-14(12)17)10-20-13-6-2-4-8-15(13)18/h1-8H,9-10H2