1-(1-bromanylheptan-2-ylsulfanyl)-4-nitro-benzene

Systemtic Name: 1-(1-bromanylheptan-2-ylsulfanyl)-4-nitro-benzene Openeye Name: 1-[1-(bromomethyl)hexylsulfanyl]-4-nitro-benzene CAS Name: 1-(1-bromoheptan-2-ylthio)-4-nitrobenzene IUPAC Name: 1-(1-bromoheptan-2-ylsulfanyl)-4-nitrobenzene Traditional Name: 1-[1-(bromomethyl)hexylthio]-4-nitro-benzene Formula: C13H18BrNO2S MolecularWeight: 332.25652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CBr)SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(CBr)SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H18BrNO2S/c1-2-3-4-5-13(10-14)18-12-8-6-11(7-9-12)15(16)17/h6-9,13H,2-5,10H2,1H3