[3-nitro-4-(trioxidanylsulfanyl)phenyl] 3-iodanyl-2-nitro-propanoate

Systemtic Name: [3-nitro-4-(trioxidanylsulfanyl)phenyl] 3-iodanyl-2-nitro-propanoate Openeye Name: [3-nitro-4-(trioxidanylsulfanyl)phenyl] 3-iodo-2-nitro-propanoate CAS Name: 3-iodo-2-nitropropanoic acid [3-nitro-4-(trioxidanylthio)phenyl] ester IUPAC Name: [3-nitro-4-(trioxidanylsulfanyl)phenyl] 3-iodo-2-nitropropanoate Traditional Name: 3-iodo-2-nitro-propionic acid [3-nitro-4-(trioxidanylthio)phenyl] ester Formula: C9H7IN2O9S MolecularWeight: 446.12935

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OC(=O)C(CI)[N+](=O)[O-])[N+](=O)[O-])SOOO

Isomeric SMILES

C1=CC(=C(C=C1OC(=O)C(CI)[N+](=O)[O-])[N+](=O)[O-])SOOO

InChI

InChI=1S/C9H7IN2O9S/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