4-methylbenzenesulfonate; methyl-tris(6-methylheptyl)azanium

Systemtic Name: 4-methylbenzenesulfonate; methyl-tris(6-methylheptyl)azanium Openeye Name: 4-methylbenzenesulfonate; methyl-tris(6-methylheptyl)ammonium CAS Name: 4-methylbenzenesulfonate; methyl-tris(6-methylheptyl)ammonium IUPAC Name: 4-methylbenzenesulfonate; methyl-tris(6-methylheptyl)azanium Traditional Name: methyl-tris(6-methylheptyl)ammonium tosylate Formula: C32H61NO3S MolecularWeight: 539.89664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)CCCCC[N+](C)(CCCCCC(C)C)CCCCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)CCCCC[N+](C)(CCCCCC(C)C)CCCCCC(C)C

InChI

InChI=1S/C25H54N.C7H8O3S/c1-23(2)17-11-8-14-20-26(7,21-15-9-12-18-24(3)4)22-16-10-13-19-25(5)6;1-6-2-4-7(5-3-6)11(8,9)10/h23-25H,8-22H2,1-7H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1