5-hexyl-2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium; 4-octadecylbenzenesulfonate

Systemtic Name: 5-hexyl-2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium; 4-octadecylbenzenesulfonate Openeye Name: 5-hexyl-2,3-diphenyl-1,3-dihydrotetrazol-3-ium; 4-octadecylbenzenesulfonate CAS Name: 5-hexyl-2,3-diphenyl-1,3-dihydrotetrazol-3-ium; 4-octadecylbenzenesulfonate IUPAC Name: 5-hexyl-2,3-diphenyl-1,3-dihydrotetrazol-3-ium; 4-octadecylbenzenesulfonate Traditional Name: 5-hexyl-2,3-diphenyl-1,3-dihydrotetrazol-3-ium; 4-stearylbesylate Formula: C43H66N4O3S MolecularWeight: 719.07414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CCCCCCC1=N[NH+](N(N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CCCCCCC1=N[NH+](N(N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H42O3S.C19H24N4/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;1-2-3-4-11-16-19-20-22(17-12-7-5-8-13-17)23(21-19)18-14-9-6-10-15-18/h19-22H,2-18H2,1H3,(H,25,26,27);5-10,12-15H,2-4,11,16H2,1H3,(H,20,21)