5-[4-(2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-5-yl)phenyl]-2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium; 4-dodecylbenzenesulfonate

Systemtic Name: 5-[4-(2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-5-yl)phenyl]-2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium; 4-dodecylbenzenesulfonate Openeye Name: 5-[4-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)phenyl]-2,3-diphenyl-1,3-dihydrotetrazol-3-ium; 4-dodecylbenzenesulfonate CAS Name: 5-[4-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)phenyl]-2,3-diphenyl-1,3-dihydrotetrazol-3-ium; 4-dodecylbenzenesulfonate IUPAC Name: 5-[4-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)phenyl]-2,3-diphenyl-1,3-dihydrotetrazol-3-ium; 4-dodecylbenzenesulfonate Traditional Name: 5-[4-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)phenyl]-2,3-diphenyl-1,3-dihydrotetrazol-3-ium; 4-laurylbesylate Formula: C68H86N8O6S2 MolecularWeight: 1175.59044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)C4=CC=C(C=C4)C5=N[NH+](N(N5)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)C4=CC=C(C=C4)C5=N[NH+](N(N5)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C32H26N8.2C18H30O3S/c1-5-13-27(14-6-1)37-33-31(34-38(37)28-15-7-2-8-16-28)25-21-23-26(24-22-25)32-35-39(29-17-9-3-10-18-29)40(36-32)30-19-11-4-12-20-30;2*1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h1-24H,(H,33,34)(H,35,36);2*13-16H,2-12H2,1H3,(H,19,20,21)