4-octylbenzenesulfonate; triphenylsulfanium

Systemtic Name: 4-octylbenzenesulfonate; triphenylsulfanium Openeye Name: 4-octylbenzenesulfonate; triphenylsulfonium CAS Name: 4-octylbenzenesulfonate; triphenylsulfonium IUPAC Name: 4-octylbenzenesulfonate; triphenylsulfanium Traditional Name: 4-octylbesylate; triphenylsulfonium Formula: C32H36O3S2 MolecularWeight: 532.75644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H15S.C14H22O3S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)18(15,16)17/h1-15H;9-12H,2-8H2,1H3,(H,15,16,17)/q+1;/p-1