1-oxidanidyl-4-phenylsulfanyl-pyridin-1-ium-3-carboxylate

Systemtic Name: 1-oxidanidyl-4-phenylsulfanyl-pyridin-1-ium-3-carboxylate Openeye Name: 1-oxido-4-phenylsulfanyl-pyridin-1-ium-3-carboxylate CAS Name: 1-oxido-4-(phenylthio)-3-pyridin-1-iumcarboxylate IUPAC Name: 1-oxido-4-phenylsulfanylpyridin-1-ium-3-carboxylate Traditional Name: 1-oxido-4-(phenylthio)pyridin-1-ium-3-carboxylate Formula: C12H8NO3S- MolecularWeight: 246.26182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=[N+](C=C2)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=[N+](C=C2)[O-])C(=O)[O-]

InChI

InChI=1S/C12H9NO3S/c14-12(15)10-8-13(16)7-6-11(10)17-9-4-2-1-3-5-9/h1-8H,(H,14,15)/p-1