2-[(3,5-dinitrothiophen-2-yl)amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(3,5-dinitrothiophen-2-yl)amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(3,5-dinitro-2-thienyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(3,5-dinitro-2-thiophenyl)amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(3,5-dinitrothiophen-2-yl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(3,5-dinitro-2-thienyl)amino]-4-(methylthio)butyric acid Formula: C9H11N3O6S2 MolecularWeight: 321.33014

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC1=C(C=C(S1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)O)NC1=C(C=C(S1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H11N3O6S2/c1-19-3-2-5(9(13)14)10-8-6(11(15)16)4-7(20-8)12(17)18/h4-5,10H,2-3H2,1H3,(H,13,14)