2-(1-methylpyrimidin-1-ium-2-yl)sulfanyl-1-[3,4,5-tris(oxidanyl)phenyl]ethanone

Systemtic Name: 2-(1-methylpyrimidin-1-ium-2-yl)sulfanyl-1-[3,4,5-tris(oxidanyl)phenyl]ethanone Openeye Name: 2-(1-methylpyrimidin-1-ium-2-yl)sulfanyl-1-(3,4,5-trihydroxyphenyl)ethanone CAS Name: 2-[(1-methyl-2-pyrimidin-1-iumyl)thio]-1-(3,4,5-trihydroxyphenyl)ethanone IUPAC Name: 2-(1-methylpyrimidin-1-ium-2-yl)sulfanyl-1-(3,4,5-trihydroxyphenyl)ethanone Traditional Name: 2-[(1-methylpyrimidin-1-ium-2-yl)thio]-1-(3,4,5-trihydroxyphenyl)ethanone Formula: C13H13N2O4S+ MolecularWeight: 293.31832

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CN=C1SCC(=O)C2=CC(=C(C(=C2)O)O)O

Isomeric SMILES

C[N+]1=CC=CN=C1SCC(=O)C2=CC(=C(C(=C2)O)O)O

InChI

InChI=1S/C13H12N2O4S/c1-15-4-2-3-14-13(15)20-7-11(18)8-5-9(16)12(19)10(17)6-8/h2-6H,7H2,1H3,(H2-,16,17,18,19)/p+1