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

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]-4-ethylsulfanyl-butanoic acid Openeye Name: 2-(2,4-dinitroanilino)-4-ethylsulfanyl-butanoic acid CAS Name: 2-(2,4-dinitroanilino)-4-(ethylthio)butanoic acid IUPAC Name: 2-(2,4-dinitroanilino)-4-ethylsulfanylbutanoic acid Traditional Name: 2-(2,4-dinitroanilino)-4-(ethylthio)butyric acid Formula: C12H15N3O6S MolecularWeight: 329.329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O6S/c1-2-22-6-5-10(12(16)17)13-9-4-3-8(14(18)19)7-11(9)15(20)21/h3-4,7,10,13H,2,5-6H2,1H3,(H,16,17)