4-methylbenzenesulfonate; tris(phenylmethyl)azanium

Systemtic Name: 4-methylbenzenesulfonate; tris(phenylmethyl)azanium Openeye Name: 4-methylbenzenesulfonate; tribenzylammonium CAS Name: 4-methylbenzenesulfonate; tris(phenylmethyl)ammonium IUPAC Name: 4-methylbenzenesulfonate; tribenzylazanium Traditional Name: tribenzylammonium tosylate Formula: C28H29NO3S MolecularWeight: 459.59976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)C[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)C[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N.C7H8O3S/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;1-6-2-4-7(5-3-6)11(8,9)10/h1-15H,16-18H2;2-5H,1H3,(H,8,9,10)