2-(4-methylphenyl)-3,5-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium; 4-octylbenzenesulfonate

Systemtic Name: 2-(4-methylphenyl)-3,5-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium; 4-octylbenzenesulfonate Openeye Name: 3,5-diphenyl-2-(p-tolyl)-1,3-dihydrotetrazol-3-ium; 4-octylbenzenesulfonate CAS Name: 2-(4-methylphenyl)-3,5-diphenyl-1,3-dihydrotetrazol-3-ium; 4-octylbenzenesulfonate IUPAC Name: 2-(4-methylphenyl)-3,5-diphenyl-1,3-dihydrotetrazol-3-ium; 4-octylbenzenesulfonate Traditional Name: 3,5-diphenyl-2-(p-tolyl)-1,3-dihydrotetrazol-3-ium; 4-octylbesylate Formula: C34H40N4O3S MolecularWeight: 584.7714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)N2NC(=N[NH+]2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)N2NC(=N[NH+]2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4.C14H22O3S/c1-16-12-14-19(15-13-16)24-22-20(17-8-4-2-5-9-17)21-23(24)18-10-6-3-7-11-18;1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)18(15,16)17/h2-15H,1H3,(H,21,22);9-12H,2-8H2,1H3,(H,15,16,17)