2-[4-(5-cyanohexan-3-yl)phenyl]sulfanylperoxypropanedinitrile

Systemtic Name: 2-[4-(5-cyanohexan-3-yl)phenyl]sulfanylperoxypropanedinitrile Openeye Name: 2-[4-(3-cyano-1-ethyl-butyl)phenyl]sulfanylperoxypropanedinitrile CAS Name: 4-(5-cyanohexan-3-yl)benzenesulfenic acid dicyanomethoxy ester IUPAC Name: 2-[4-(5-cyanohexan-3-yl)phenyl]sulfanylperoxypropanedinitrile Traditional Name: 2-[[4-(3-cyano-1-ethyl-butyl)phenyl]thio]peroxymalononitrile Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C#N)C1=CC=C(C=C1)SOOC(C#N)C#N

Isomeric SMILES

CCC(CC(C)C#N)C1=CC=C(C=C1)SOOC(C#N)C#N

InChI

InChI=1S/C16H17N3O2S/c1-3-13(8-12(2)9-17)14-4-6-16(7-5-14)22-21-20-15(10-18)11-19/h4-7,12-13,15H,3,8H2,1-2H3