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

Systemtic Name: 4-dodecylbenzenesulfonate; 2-(4-methylphenyl)-3,5-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium Openeye Name: 3,5-diphenyl-2-(p-tolyl)-1,3-dihydrotetrazol-3-ium; 4-dodecylbenzenesulfonate CAS Name: 4-dodecylbenzenesulfonate; 2-(4-methylphenyl)-3,5-diphenyl-1,3-dihydrotetrazol-3-ium IUPAC Name: 4-dodecylbenzenesulfonate; 2-(4-methylphenyl)-3,5-diphenyl-1,3-dihydrotetrazol-3-ium Traditional Name: 3,5-diphenyl-2-(p-tolyl)-1,3-dihydrotetrazol-3-ium; 4-laurylbesylate Formula: C38H48N4O3S MolecularWeight: 640.87772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=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

CCCCCCCCCCCCC1=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.C18H30O3S/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;1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h2-15H,1H3,(H,21,22);13-16H,2-12H2,1H3,(H,19,20,21)