4-cyanobenzenesulfinate; triphenylsulfanium

Systemtic Name: 4-cyanobenzenesulfinate; triphenylsulfanium Openeye Name: 4-cyanobenzenesulfinate; triphenylsulfonium CAS Name: 4-cyanobenzenesulfinate; triphenylsulfonium IUPAC Name: 4-cyanobenzenesulfinate; triphenylsulfanium Traditional Name: 4-cyanobenzenesulfinate; triphenylsulfonium Formula: C25H19NO2S2 MolecularWeight: 429.55386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CC=C1C#N)S(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CC=C1C#N)S(=O)[O-]

InChI

InChI=1S/C18H15S.C7H5NO2S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-5-6-1-3-7(4-2-6)11(9)10/h1-15H;1-4H,(H,9,10)/q+1;/p-1