3-[2,4-dinitro-5-(3-oxidanidyl-3-oxidanylidene-propyl)sulfanyl-phenyl]sulfanylpropanoate

Systemtic Name: 3-[2,4-dinitro-5-(3-oxidanidyl-3-oxidanylidene-propyl)sulfanyl-phenyl]sulfanylpropanoate Openeye Name: 3-[2,4-dinitro-5-(3-oxido-3-oxo-propyl)sulfanyl-phenyl]sulfanylpropanoate CAS Name: 3-[[2,4-dinitro-5-[(3-oxido-3-oxopropyl)thio]phenyl]thio]propanoate IUPAC Name: 3-[2,4-dinitro-5-(3-oxido-3-oxopropyl)sulfanylphenyl]sulfanylpropanoate Traditional Name: 3-[[5-[(3-keto-3-oxido-propyl)thio]-2,4-dinitro-phenyl]thio]propionate Formula: C12H10N2O8S2-2 MolecularWeight: 374.3464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O8S2/c15-11(16)1-3-23-9-6-10(24-4-2-12(17)18)8(14(21)22)5-7(9)13(19)20/h5-6H,1-4H2,(H,15,16)(H,17,18)/p-2