1-bromanyl-5-(2,4-dinitrophenyl)sulfanyl-pentan-2-one

Systemtic Name: 1-bromanyl-5-(2,4-dinitrophenyl)sulfanyl-pentan-2-one Openeye Name: 1-bromo-5-(2,4-dinitrophenyl)sulfanyl-pentan-2-one CAS Name: 1-bromo-5-[(2,4-dinitrophenyl)thio]-2-pentanone IUPAC Name: 1-bromo-5-(2,4-dinitrophenyl)sulfanylpentan-2-one Traditional Name: 1-bromo-5-[(2,4-dinitrophenyl)thio]pentan-2-one Formula: C11H11BrN2O5S MolecularWeight: 363.18444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11BrN2O5S/c12-7-9(15)2-1-5-20-11-4-3-8(13(16)17)6-10(11)14(18)19/h3-4,6H,1-2,5,7H2