1-bromanyl-4-(2,4-dinitrophenyl)sulfanyl-butan-2-one

Systemtic Name: 1-bromanyl-4-(2,4-dinitrophenyl)sulfanyl-butan-2-one Openeye Name: 1-bromo-4-(2,4-dinitrophenyl)sulfanyl-butan-2-one CAS Name: 1-bromo-4-[(2,4-dinitrophenyl)thio]-2-butanone IUPAC Name: 1-bromo-4-(2,4-dinitrophenyl)sulfanylbutan-2-one Traditional Name: 1-bromo-4-[(2,4-dinitrophenyl)thio]butan-2-one Formula: C10H9BrN2O5S MolecularWeight: 349.15786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9BrN2O5S/c11-6-8(14)3-4-19-10-2-1-7(12(15)16)5-9(10)13(17)18/h1-2,5H,3-4,6H2