4-methylbenzenesulfonate; 2-(2-octadecylphenyl)propan-2-ylazanium

Systemtic Name: 4-methylbenzenesulfonate; 2-(2-octadecylphenyl)propan-2-ylazanium Openeye Name: 4-methylbenzenesulfonate; [1-methyl-1-(2-octadecylphenyl)ethyl]ammonium CAS Name: 4-methylbenzenesulfonate; 2-(2-octadecylphenyl)propan-2-ylammonium IUPAC Name: 4-methylbenzenesulfonate; 2-(2-octadecylphenyl)propan-2-ylazanium Traditional Name: [1-methyl-1-(2-stearylphenyl)ethyl]ammonium tosylate Formula: C34H57NO3S MolecularWeight: 559.88628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=CC=C1C(C)(C)[NH3+].CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=CC=C1C(C)(C)[NH3+].CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C27H49N.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23-20-21-24-26(25)27(2,3)28;1-6-2-4-7(5-3-6)11(8,9)10/h20-21,23-24H,4-19,22,28H2,1-3H3;2-5H,1H3,(H,8,9,10)