1-(2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-5-yl)ethanone; 4-octadecylbenzenesulfonate

Systemtic Name: 1-(2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-5-yl)ethanone; 4-octadecylbenzenesulfonate Openeye Name: 1-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)ethanone; 4-octadecylbenzenesulfonate CAS Name: 1-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)ethanone; 4-octadecylbenzenesulfonate IUPAC Name: 1-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)ethanone; 4-octadecylbenzenesulfonate Traditional Name: 1-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)ethanone; 4-stearylbesylate Formula: C39H56N4O4S MolecularWeight: 676.95134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=O)C1=N[NH+](N(N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=O)C1=N[NH+](N(N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H42O3S.C15H14N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-24(22-20-23)28(25,26)27;1-12(20)15-16-18(13-8-4-2-5-9-13)19(17-15)14-10-6-3-7-11-14/h19-22H,2-18H2,1H3,(H,25,26,27);2-11H,1H3,(H,16,17)