5-carboxy-2-[[4-[oxidanidyl(oxidanyl)azaniumyl]phenyl]sulfanylmethyl]-N-oxidanyl-benzeneamine oxide

Systemtic Name: 5-carboxy-2-[[4-[oxidanidyl(oxidanyl)azaniumyl]phenyl]sulfanylmethyl]-N-oxidanyl-benzeneamine oxide Openeye Name: 5-carboxy-N-hydroxy-2-[[4-[hydroxy(oxido)ammonio]phenyl]sulfanylmethyl]benzeneamine oxide CAS Name: 5-carboxy-N-hydroxy-2-[[[4-[hydroxy(oxido)ammonio]phenyl]thio]methyl]benzeneamine oxide IUPAC Name: 5-carboxy-N-hydroxy-2-[[4-[hydroxy(oxido)azaniumyl]phenyl]sulfanylmethyl]benzeneamine oxide Traditional Name: 5-carboxy-N-hydroxy-2-[[[4-[hydroxy(oxido)ammonio]phenyl]thio]methyl]benzeneamine oxide Formula: C14H14N2O6S MolecularWeight: 338.33576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O6S/c17-14(18)9-1-2-10(13(7-9)16(21)22)8-23-12-5-3-11(4-6-12)15(19)20/h1-7,15-16,19,21H,8H2,(H,17,18)