1-[(E)-5-bromanyloct-4-en-4-yl]sulfanyl-4-nitro-benzene

Systemtic Name: 1-[(E)-5-bromanyloct-4-en-4-yl]sulfanyl-4-nitro-benzene Openeye Name: 1-[(E)-2-bromo-1-propyl-pent-1-enyl]sulfanyl-4-nitro-benzene CAS Name: 1-[[(E)-5-bromooct-4-en-4-yl]thio]-4-nitrobenzene IUPAC Name: 1-[(E)-5-bromooct-4-en-4-yl]sulfanyl-4-nitrobenzene Traditional Name: 1-[[(E)-2-bromo-1-propyl-pent-1-enyl]thio]-4-nitro-benzene Formula: C14H18BrNO2S MolecularWeight: 344.26722

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C(CCC)Br)SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCC/C(=C(/CCC)\Br)/SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H18BrNO2S/c1-3-5-13(15)14(6-4-2)19-12-9-7-11(8-10-12)16(17)18/h7-10H,3-6H2,1-2H3/b14-13+