5-[4-(2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-5-yl)butyl]-2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium; 4-propyldodecane-4-sulfonate

Systemtic Name: 5-[4-(2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-5-yl)butyl]-2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium; 4-propyldodecane-4-sulfonate Openeye Name: 5-[4-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)butyl]-2,3-diphenyl-1,3-dihydrotetrazol-3-ium; 4-propyldodecane-4-sulfonate CAS Name: 5-[4-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)butyl]-2,3-diphenyl-1,3-dihydrotetrazol-3-ium; 4-propyl-4-dodecanesulfonate IUPAC Name: 5-[4-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)butyl]-2,3-diphenyl-1,3-dihydrotetrazol-3-ium; 4-propyldodecane-4-sulfonate Traditional Name: 5-[4-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)butyl]-2,3-diphenyl-1,3-dihydrotetrazol-3-ium; 4-propyldodecane-4-sulfonate Formula: C60H94N8O6S2 MolecularWeight: 1087.56836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCC)(CCC)S(=O)(=O)[O-].CCCCCCCCC(CCC)(CCC)S(=O)(=O)[O-].C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)CCCCC4=N[NH+](N(N4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCCCCCCCC(CCC)(CCC)S(=O)(=O)[O-].CCCCCCCCC(CCC)(CCC)S(=O)(=O)[O-].C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)CCCCC4=N[NH+](N(N4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H30N8.2C15H32O3S/c1-5-15-25(16-6-1)35-31-29(32-36(35)26-17-7-2-8-18-26)23-13-14-24-30-33-37(27-19-9-3-10-20-27)38(34-30)28-21-11-4-12-22-28;2*1-4-7-8-9-10-11-14-15(12-5-2,13-6-3)19(16,17)18/h1-12,15-22H,13-14,23-24H2,(H,31,32)(H,33,34);2*4-14H2,1-3H3,(H,16,17,18)