1-(2-hydroxyphenyl)-3-(1-oxidanidylpyridin-1-ium-2-yl)-2-sulfanyl-propan-1-one

Systemtic Name: 1-(2-hydroxyphenyl)-3-(1-oxidanidylpyridin-1-ium-2-yl)-2-sulfanyl-propan-1-one Openeye Name: 1-(2-hydroxyphenyl)-3-(1-oxidopyridin-1-ium-2-yl)-2-sulfanyl-propan-1-one CAS Name: 1-(2-hydroxyphenyl)-2-mercapto-3-(1-oxido-2-pyridin-1-iumyl)-1-propanone IUPAC Name: 1-(2-hydroxyphenyl)-3-(1-oxidopyridin-1-ium-2-yl)-2-sulfanylpropan-1-one Traditional Name: 1-(2-hydroxyphenyl)-2-mercapto-3-(1-oxidopyridin-1-ium-2-yl)propan-1-one Formula: C14H13NO3S MolecularWeight: 275.32292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C(CC2=CC=CC=[N+]2[O-])S)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C(CC2=CC=CC=[N+]2[O-])S)O

InChI

InChI=1S/C14H13NO3S/c16-12-7-2-1-6-11(12)14(17)13(19)9-10-5-3-4-8-15(10)18/h1-8,13,16,19H,9H2