4-(2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-5-yl)benzenecarbonitrile; 2-ethyldecane-1-sulfonate

Systemtic Name: 4-(2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-5-yl)benzenecarbonitrile; 2-ethyldecane-1-sulfonate Openeye Name: 4-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)benzonitrile; 2-ethyldecane-1-sulfonate CAS Name: 4-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)benzonitrile; 2-ethyl-1-decanesulfonate IUPAC Name: 4-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)benzonitrile; 2-ethyldecane-1-sulfonate Traditional Name: 4-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)benzonitrile; 2-ethyldecane-1-sulfonate Formula: C44H66N5O6S2- MolecularWeight: 825.15474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC)CS(=O)(=O)[O-].CCCCCCCCC(CC)CS(=O)(=O)[O-].C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCCCCCC(CC)CS(=O)(=O)[O-].CCCCCCCCC(CC)CS(=O)(=O)[O-].C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H15N5.2C12H26O3S/c21-15-16-11-13-17(14-12-16)20-22-24(18-7-3-1-4-8-18)25(23-20)19-9-5-2-6-10-19;2*1-3-5-6-7-8-9-10-12(4-2)11-16(13,14)15/h1-14H,(H,22,23);2*12H,3-11H2,1-2H3,(H,13,14,15)/p-1