(2-nitro-1-prop-2-enylsulfanyl-ethyl)benzene

Systemtic Name: (2-nitro-1-prop-2-enylsulfanyl-ethyl)benzene Openeye Name: (1-allylsulfanyl-2-nitro-ethyl)benzene CAS Name: [2-nitro-1-(prop-2-enylthio)ethyl]benzene IUPAC Name: (2-nitro-1-prop-2-enylsulfanylethyl)benzene Traditional Name: [1-(allylthio)-2-nitro-ethyl]benzene Formula: C11H13NO2S MolecularWeight: 223.29142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC(C[N+](=O)[O-])C1=CC=CC=C1

Isomeric SMILES

C=CCSC(C[N+](=O)[O-])C1=CC=CC=C1

InChI

InChI=1S/C11H13NO2S/c1-2-8-15-11(9-12(13)14)10-6-4-3-5-7-10/h2-7,11H,1,8-9H2