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4-dodecylsulfanyl-3-nitro-benzenecarbonitrile

4-dodecylsulfanyl-3-nitro-benzenecarbonitrile

Systemtic Name:4-dodecylsulfanyl-3-nitro-benzenecarbonitrile
Openeye Name:4-dodecylsulfanyl-3-nitro-benzonitrile
CAS Name:4-(dodecylthio)-3-nitrobenzonitrile
IUPAC Name:4-dodecylsulfanyl-3-nitrobenzonitrile
Traditional Name:4-(laurylthio)-3-nitro-benzonitrile
Formula: C19H28N2O2S
MolecularWeight: 348.50282
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=C(C=C(C=C1)C#N)[N+](=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCSC1=C(C=C(C=C1)C#N)[N+](=O)[O-]


InChI

InChI=1S/C19H28N2O2S/c1-2-3-4-5-6-7-8-9-10-11-14-24-19-13-12-17(16-20)15-18(19)21(22)23/h12-13,15H,2-11,14H2,1H3


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