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

Systemtic Name: [3-methyl-4-(trioxidanylsulfanyl)phenyl] 3-iodanyl-2-nitro-propanoate Openeye Name: [3-methyl-4-(trioxidanylsulfanyl)phenyl] 3-iodo-2-nitro-propanoate CAS Name: 3-iodo-2-nitropropanoic acid [3-methyl-4-(trioxidanylthio)phenyl] ester IUPAC Name: [3-methyl-4-(trioxidanylsulfanyl)phenyl] 3-iodo-2-nitropropanoate Traditional Name: 3-iodo-2-nitro-propionic acid [3-methyl-4-(trioxidanylthio)phenyl] ester Formula: C10H10INO7S MolecularWeight: 415.15837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C(CI)[N+](=O)[O-])SOOO

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)C(CI)[N+](=O)[O-])SOOO

InChI

InChI=1S/C10H10INO7S/c1-6-4-7(2-3-9(6)20-19-18-16)17-10(13)8(5-11)12(14)15/h2-4,8,16H,5H2,1H3