4-methylbenzenesulfonate; 2-methyl-5-phenyl-3-(2,4,5-trimethylhexan-2-yl)-1,2,3,4-tetrazol-2-ium

Systemtic Name: 4-methylbenzenesulfonate; 2-methyl-5-phenyl-3-(2,4,5-trimethylhexan-2-yl)-1,2,3,4-tetrazol-2-ium Openeye Name: 4-methylbenzenesulfonate; 2-methyl-5-phenyl-3-(1,1,3,4-tetramethylpentyl)tetrazol-2-ium CAS Name: 4-methylbenzenesulfonate; 2-methyl-5-phenyl-3-(2,4,5-trimethylhexan-2-yl)tetrazol-2-ium IUPAC Name: 4-methylbenzenesulfonate; 2-methyl-5-phenyl-3-(2,4,5-trimethylhexan-2-yl)tetrazol-2-ium Traditional Name: 2-methyl-5-phenyl-3-(1,1,3,4-tetramethylpentyl)tetrazol-2-ium tosylate Formula: C24H34N4O3S MolecularWeight: 458.61676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)C(C)CC(C)(C)N1N=C(N=[N+]1C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)C(C)CC(C)(C)N1N=C(N=[N+]1C)C2=CC=CC=C2

InChI

InChI=1S/C17H27N4.C7H8O3S/c1-13(2)14(3)12-17(4,5)21-19-16(18-20(21)6)15-10-8-7-9-11-15;1-6-2-4-7(5-3-6)11(8,9)10/h7-11,13-14H,12H2,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1