methyl 4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylbenzoate

Systemtic Name: methyl 4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylbenzoate Openeye Name: methyl 4-(1-oxidopyridin-1-ium-2-yl)sulfanylbenzoate CAS Name: 4-[(1-oxido-2-pyridin-1-iumyl)thio]benzoic acid methyl ester IUPAC Name: methyl 4-(1-oxidopyridin-1-ium-2-yl)sulfanylbenzoate Traditional Name: 4-[(1-oxidopyridin-1-ium-2-yl)thio]benzoic acid methyl ester Formula: C13H11NO3S MolecularWeight: 261.29634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C13H11NO3S/c1-17-13(15)10-5-7-11(8-6-10)18-12-4-2-3-9-14(12)16/h2-9H,1H3