4-[[3-azanyl-4-(trioxidanylsulfanyl)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-azanyl-4-(trioxidanylsulfanyl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-amino-4-(trioxidanylsulfanyl)anilino]-4-oxo-butanoic acid CAS Name: 4-[3-amino-4-(trioxidanylthio)anilino]-4-oxobutanoic acid IUPAC Name: 4-[3-amino-4-(trioxidanylsulfanyl)anilino]-4-oxobutanoic acid Traditional Name: 4-[3-amino-4-(trioxidanylthio)anilino]-4-keto-butyric acid Formula: C10H12N2O6S MolecularWeight: 288.27708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCC(=O)O)N)SOOO

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCC(=O)O)N)SOOO

InChI

InChI=1S/C10H12N2O6S/c11-7-5-6(1-2-8(7)19-18-17-16)12-9(13)3-4-10(14)15/h1-2,5,16H,3-4,11H2,(H,12,13)(H,14,15)