sodium (3-nitro-4-oxidanidylperoxysulfanyl-phenyl) 3-chloranyl-2-nitro-propanoate

Systemtic Name: sodium (3-nitro-4-oxidanidylperoxysulfanyl-phenyl) 3-chloranyl-2-nitro-propanoate Openeye Name: sodium (3-nitro-4-oxidoperoxysulfanyl-phenyl) 3-chloro-2-nitro-propanoate CAS Name: sodium 3-chloro-2-nitropropanoic acid [3-nitro-4-(oxidodioxythio)phenyl] ester IUPAC Name: sodium (3-nitro-4-oxidoperoxysulfanylphenyl) 3-chloro-2-nitropropanoate Traditional Name: sodium 3-chloro-2-nitro-propionic acid [3-nitro-4-(oxidoperoxythio)phenyl] ester Formula: C9H6ClN2NaO9S MolecularWeight: 376.65971

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OC(=O)C(CCl)[N+](=O)[O-])[N+](=O)[O-])SOO[O-].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1OC(=O)C(CCl)[N+](=O)[O-])[N+](=O)[O-])SOO[O-].[Na+]

InChI

InChI=1S/C9H7ClN2O9S.Na/c10-4-7(12(16)17)9(13)19-5-1-2-8(22-21-20-18)6(3-5)11(14)15;/h1-3,7,18H,4H2;/q;+1/p-1