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

Systemtic Name: 2-[bis(2,4-dinitrophenyl)amino]-4-sulfanyl-butanoic acid Openeye Name: 2-(N-(2,4-dinitrophenyl)-2,4-dinitro-anilino)-4-sulfanyl-butanoic acid CAS Name: 2-(N-(2,4-dinitrophenyl)-2,4-dinitroanilino)-4-mercaptobutanoic acid IUPAC Name: 2-(N-(2,4-dinitrophenyl)-2,4-dinitroanilino)-4-sulfanylbutanoic acid Traditional Name: 2-(N-(2,4-dinitrophenyl)-2,4-dinitro-anilino)-4-mercapto-butyric acid Formula: C16H13N5O10S MolecularWeight: 467.36692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N(C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(CCS)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N(C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(CCS)C(=O)O

InChI

InChI=1S/C16H13N5O10S/c22-16(23)13(5-6-32)17(11-3-1-9(18(24)25)7-14(11)20(28)29)12-4-2-10(19(26)27)8-15(12)21(30)31/h1-4,7-8,13,32H,5-6H2,(H,22,23)