1-bromanyl-6-(2,4-dinitrophenyl)sulfanyl-hexan-2-one

Systemtic Name: 1-bromanyl-6-(2,4-dinitrophenyl)sulfanyl-hexan-2-one Openeye Name: 1-bromo-6-(2,4-dinitrophenyl)sulfanyl-hexan-2-one CAS Name: 1-bromo-6-[(2,4-dinitrophenyl)thio]-2-hexanone IUPAC Name: 1-bromo-6-(2,4-dinitrophenyl)sulfanylhexan-2-one Traditional Name: 1-bromo-6-[(2,4-dinitrophenyl)thio]hexan-2-one Formula: C12H13BrN2O5S MolecularWeight: 377.21102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN2O5S/c13-8-10(16)3-1-2-6-21-12-5-4-9(14(17)18)7-11(12)15(19)20/h4-5,7H,1-3,6,8H2