2-[(2,4-dinitrophenyl)amino]-3-(2,4-dinitrophenyl)sulfanyl-propanoic acid

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]-3-(2,4-dinitrophenyl)sulfanyl-propanoic acid Openeye Name: 2-(2,4-dinitroanilino)-3-(2,4-dinitrophenyl)sulfanyl-propanoic acid CAS Name: 2-(2,4-dinitroanilino)-3-[(2,4-dinitrophenyl)thio]propanoic acid IUPAC Name: 2-(2,4-dinitroanilino)-3-(2,4-dinitrophenyl)sulfanylpropanoic acid Traditional Name: 2-(2,4-dinitroanilino)-3-[(2,4-dinitrophenyl)thio]propionic acid Formula: C15H11N5O10S MolecularWeight: 453.34034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H11N5O10S/c21-15(22)11(16-10-3-1-8(17(23)24)5-12(10)19(27)28)7-31-14-4-2-9(18(25)26)6-13(14)20(29)30/h1-6,11,16H,7H2,(H,21,22)