2-azanyl-3-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)disulfanyl]-2-(2,3-dinitrophenyl)propanoic acid

Systemtic Name: 2-azanyl-3-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)disulfanyl]-2-(2,3-dinitrophenyl)propanoic acid Openeye Name: 2-amino-3-[(2-amino-3-hydroxy-3-oxo-propyl)disulfanyl]-2-(2,3-dinitrophenyl)propanoic acid CAS Name: 2-amino-3-[(2-amino-3-hydroxy-3-oxopropyl)disulfanyl]-2-(2,3-dinitrophenyl)propanoic acid IUPAC Name: 2-amino-3-[(2-amino-3-hydroxy-3-oxopropyl)disulfanyl]-2-(2,3-dinitrophenyl)propanoic acid Traditional Name: 2-amino-3-[(2-amino-3-hydroxy-3-keto-propyl)disulfanyl]-2-(2,3-dinitrophenyl)propionic acid Formula: C12H14N4O8S2 MolecularWeight: 406.39156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O8S2/c13-7(10(17)18)4-25-26-5-12(14,11(19)20)6-2-1-3-8(15(21)22)9(6)16(23)24/h1-3,7H,4-5,13-14H2,(H,17,18)(H,19,20)