4-[4-(2-oxidanylidenepropylsulfonyl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(2-oxidanylidenepropylsulfonyl)phenyl]benzenecarbonitrile Openeye Name: 4-(4-acetonylsulfonylphenyl)benzonitrile CAS Name: 4-[4-(2-oxopropylsulfonyl)phenyl]benzonitrile IUPAC Name: 4-[4-(2-oxopropylsulfonyl)phenyl]benzonitrile Traditional Name: 4-(4-acetonylsulfonylphenyl)benzonitrile Formula: C16H13NO3S MolecularWeight: 299.34432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(=O)CS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H13NO3S/c1-12(18)11-21(19,20)16-8-6-15(7-9-16)14-4-2-13(10-17)3-5-14/h2-9H,11H2,1H3