4-[[4-[oxidanidyl(oxidanyl)amino]phenyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[4-[oxidanidyl(oxidanyl)amino]phenyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[4-[hydroxy(oxido)amino]phenyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[4-[hydroxy(oxido)amino]phenyl]thio]methyl]benzoic acid IUPAC Name: 4-[[4-[hydroxy(oxido)amino]phenyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[4-[hydroxy(oxido)amino]phenyl]thio]methyl]benzoic acid Formula: C14H12NO4S- MolecularWeight: 290.31438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=CC=C(C=C2)N(O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSC2=CC=C(C=C2)N(O)[O-])C(=O)O

InChI

InChI=1S/C14H12NO4S/c16-14(17)11-3-1-10(2-4-11)9-20-13-7-5-12(6-8-13)15(18)19/h1-8,18H,9H2,(H,16,17)/q-1