2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium; 4-octylbenzenesulfonate

Systemtic Name: 2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium; 4-octylbenzenesulfonate Openeye Name: 2,3-diphenyl-1,3-dihydrotetrazol-3-ium; 4-octylbenzenesulfonate CAS Name: 2,3-diphenyl-1,3-dihydrotetrazol-3-ium; 4-octylbenzenesulfonate IUPAC Name: 2,3-diphenyl-1,3-dihydrotetrazol-3-ium; 4-octylbenzenesulfonate Traditional Name: 2,3-diphenyl-1,3-dihydrotetrazol-3-ium; 4-octylbesylate Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[NH+]2N=CNN2C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[NH+]2N=CNN2C3=CC=CC=C3

InChI

InChI=1S/C14H22O3S.C13H12N4/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)18(15,16)17;1-3-7-12(8-4-1)16-14-11-15-17(16)13-9-5-2-6-10-13/h9-12H,2-8H2,1H3,(H,15,16,17);1-11H,(H,14,15)