1-oxidanidyl-4-phenylsulfanyl-pyridin-1-ium-3-carboxylic acid

Systemtic Name: 1-oxidanidyl-4-phenylsulfanyl-pyridin-1-ium-3-carboxylic acid Openeye Name: 1-oxido-4-phenylsulfanyl-pyridin-1-ium-3-carboxylic acid CAS Name: 1-oxido-4-(phenylthio)-3-pyridin-1-iumcarboxylic acid IUPAC Name: 1-oxido-4-phenylsulfanylpyridin-1-ium-3-carboxylic acid Traditional Name: 1-oxido-4-(phenylthio)pyridin-1-ium-3-carboxylic acid Formula: C12H9NO3S MolecularWeight: 247.26976

Click to see the large picture

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)