(E)-3-oxidanyl-2-phenylsulfanylperoxy-prop-2-enenitrile

Systemtic Name: (E)-3-oxidanyl-2-phenylsulfanylperoxy-prop-2-enenitrile Openeye Name: (E)-3-hydroxy-2-phenylsulfanylperoxy-prop-2-enenitrile CAS Name: benzenesulfenic acid [(E)-1-cyano-2-hydroxyethenoxy] ester IUPAC Name: (E)-3-hydroxy-2-phenylsulfanylperoxyprop-2-enenitrile Traditional Name: (E)-3-hydroxy-2-(phenylthio)peroxy-acrylonitrile Formula: C9H7NO3S MolecularWeight: 209.22178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)SOO/C(=C/O)/C#N

InChI

InChI=1S/C9H7NO3S/c10-6-8(7-11)12-13-14-9-4-2-1-3-5-9/h1-5,7,11H/b8-7+