1-nitro-4-[2-(4-octylsulfanylphenyl)ethynyl]benzene

Systemtic Name: 1-nitro-4-[2-(4-octylsulfanylphenyl)ethynyl]benzene Openeye Name: 1-nitro-4-[2-(4-octylsulfanylphenyl)ethynyl]benzene CAS Name: 1-nitro-4-[2-[4-(octylthio)phenyl]ethynyl]benzene IUPAC Name: 1-nitro-4-[2-(4-octylsulfanylphenyl)ethynyl]benzene Traditional Name: 1-nitro-4-[2-[4-(octylthio)phenyl]ethynyl]benzene Formula: C22H25NO2S MolecularWeight: 367.5044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=CC=C(C=C1)C#CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCSC1=CC=C(C=C1)C#CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H25NO2S/c1-2-3-4-5-6-7-18-26-22-16-12-20(13-17-22)9-8-19-10-14-21(15-11-19)23(24)25/h10-17H,2-7,18H2,1H3