4-nitro-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]phenol

Systemtic Name: 4-nitro-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]phenol Openeye Name: 4-nitro-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]phenol CAS Name: 4-nitro-2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]phenol IUPAC Name: 4-nitro-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]phenol Traditional Name: 4-nitro-2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]phenol Formula: C12H10N2O4S MolecularWeight: 278.2838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC2=C(C=CC(=C2)[N+](=O)[O-])O)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC2=C(C=CC(=C2)[N+](=O)[O-])O)[O-]

InChI

InChI=1S/C12H10N2O4S/c15-11-5-4-10(14(17)18)7-9(11)8-19-12-3-1-2-6-13(12)16/h1-7,15H,8H2