4-dodecylsulfonyl-3-nitro-benzenecarbonitrile

Systemtic Name: 4-dodecylsulfonyl-3-nitro-benzenecarbonitrile Openeye Name: 4-dodecylsulfonyl-3-nitro-benzonitrile CAS Name: 4-dodecylsulfonyl-3-nitrobenzonitrile IUPAC Name: 4-dodecylsulfonyl-3-nitrobenzonitrile Traditional Name: 4-laurylsulfonyl-3-nitro-benzonitrile Formula: C19H28N2O4S MolecularWeight: 380.50162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)C1=C(C=C(C=C1)C#N)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)C1=C(C=C(C=C1)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H28N2O4S/c1-2-3-4-5-6-7-8-9-10-11-14-26(24,25)19-13-12-17(16-20)15-18(19)21(22)23/h12-13,15H,2-11,14H2,1H3