3-nitro-4-(6-oxidanylhexylsulfanyl)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(6-oxidanylhexylsulfanyl)benzenecarbonitrile Openeye Name: 4-(6-hydroxyhexylsulfanyl)-3-nitro-benzonitrile CAS Name: 4-(6-hydroxyhexylthio)-3-nitrobenzonitrile IUPAC Name: 4-(6-hydroxyhexylsulfanyl)-3-nitrobenzonitrile Traditional Name: 4-(6-hydroxyhexylthio)-3-nitro-benzonitrile Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SCCCCCCO

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SCCCCCCO

InChI

InChI=1S/C13H16N2O3S/c14-10-11-5-6-13(12(9-11)15(17)18)19-8-4-2-1-3-7-16/h5-6,9,16H,1-4,7-8H2