1-chloranyl-4-(2-nitro-1-prop-2-enylsulfanyl-ethyl)benzene

Systemtic Name: 1-chloranyl-4-(2-nitro-1-prop-2-enylsulfanyl-ethyl)benzene Openeye Name: 1-(1-allylsulfanyl-2-nitro-ethyl)-4-chloro-benzene CAS Name: 1-chloro-4-[2-nitro-1-(prop-2-enylthio)ethyl]benzene IUPAC Name: 1-chloro-4-(2-nitro-1-prop-2-enylsulfanylethyl)benzene Traditional Name: 1-[1-(allylthio)-2-nitro-ethyl]-4-chloro-benzene Formula: C11H12ClNO2S MolecularWeight: 257.73648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12ClNO2S/c1-2-7-16-11(8-13(14)15)9-3-5-10(12)6-4-9/h2-6,11H,1,7-8H2