1-(2-hydroxyphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)-2-sulfanyl-ethanone

Systemtic Name: 1-(2-hydroxyphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)-2-sulfanyl-ethanone Openeye Name: 1-(2-hydroxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)-2-sulfanyl-ethanone CAS Name: 1-(2-hydroxyphenyl)-2-mercapto-2-(1-oxido-2-pyridin-1-iumyl)ethanone IUPAC Name: 1-(2-hydroxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)-2-sulfanylethanone Traditional Name: 1-(2-hydroxyphenyl)-2-mercapto-2-(1-oxidopyridin-1-ium-2-yl)ethanone Formula: C13H11NO3S MolecularWeight: 261.29634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C(C2=CC=CC=[N+]2[O-])S)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C(C2=CC=CC=[N+]2[O-])S)O

InChI

InChI=1S/C13H11NO3S/c15-11-7-2-1-5-9(11)12(16)13(18)10-6-3-4-8-14(10)17/h1-8,13,15,18H