2-[(2,4-dinitrophenyl)amino]-4-methylsulfanyloxy-butanoic acid

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]-4-methylsulfanyloxy-butanoic acid Openeye Name: 2-(2,4-dinitroanilino)-4-methylsulfanyloxy-butanoic acid CAS Name: 2-(2,4-dinitroanilino)-4-(methylthio)oxybutanoic acid IUPAC Name: 2-(2,4-dinitroanilino)-4-methylsulfanyloxybutanoic acid Traditional Name: 2-(2,4-dinitroanilino)-4-(methylthio)oxy-butyric acid Formula: C11H13N3O7S MolecularWeight: 331.30182

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Descriptors Computed from Structure

Canonical SMILES:

CSOCCC(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSOCCC(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O7S/c1-22-21-5-4-9(11(15)16)12-8-3-2-7(13(17)18)6-10(8)14(19)20/h2-3,6,9,12H,4-5H2,1H3,(H,15,16)