4-methylbenzenesulfonate; tributyl-[(2-ethenylphenyl)methyl]azanium

Systemtic Name: 4-methylbenzenesulfonate; tributyl-[(2-ethenylphenyl)methyl]azanium Openeye Name: 4-methylbenzenesulfonate; tributyl-[(2-vinylphenyl)methyl]ammonium CAS Name: 4-methylbenzenesulfonate; tributyl-[(2-ethenylphenyl)methyl]ammonium IUPAC Name: 4-methylbenzenesulfonate; tributyl-[(2-ethenylphenyl)methyl]azanium Traditional Name: tributyl-(2-vinylbenzyl)ammonium tosylate Formula: C28H43NO3S MolecularWeight: 473.71092

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1C=C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1C=C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C21H36N.C7H8O3S/c1-5-9-16-22(17-10-6-2,18-11-7-3)19-21-15-13-12-14-20(21)8-4;1-6-2-4-7(5-3-6)11(8,9)10/h8,12-15H,4-7,9-11,16-19H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1