5-[[3-azanyl-4-(trioxidanylsulfanyl)phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3-azanyl-4-(trioxidanylsulfanyl)phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-amino-4-(trioxidanylsulfanyl)anilino]-5-oxo-pentanoic acid CAS Name: 5-[3-amino-4-(trioxidanylthio)anilino]-5-oxopentanoic acid IUPAC Name: 5-[3-amino-4-(trioxidanylsulfanyl)anilino]-5-oxopentanoic acid Traditional Name: 5-[3-amino-4-(trioxidanylthio)anilino]-5-keto-valeric acid Formula: C11H14N2O6S MolecularWeight: 302.30366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O6S/c12-8-6-7(4-5-9(8)20-19-18-17)13-10(14)2-1-3-11(15)16/h4-6,17H,1-3,12H2,(H,13,14)(H,15,16)