2-(2,3-dimethylphenyl)propan-2-ylazanium; 2-dodecylbenzenesulfonate

Systemtic Name: 2-(2,3-dimethylphenyl)propan-2-ylazanium; 2-dodecylbenzenesulfonate Openeye Name: [1-(2,3-dimethylphenyl)-1-methyl-ethyl]ammonium; 2-dodecylbenzenesulfonate CAS Name: 2-(2,3-dimethylphenyl)propan-2-ylammonium; 2-dodecylbenzenesulfonate IUPAC Name: 2-(2,3-dimethylphenyl)propan-2-ylazanium; 2-dodecylbenzenesulfonate Traditional Name: [1-(2,3-dimethylphenyl)-1-methyl-ethyl]ammonium; 2-laurylbesylate Formula: C29H47NO3S MolecularWeight: 489.75338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CC1=C(C(=CC=C1)C(C)(C)[NH3+])C

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CC1=C(C(=CC=C1)C(C)(C)[NH3+])C

InChI

InChI=1S/C18H30O3S.C11H17N/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-8-6-5-7-10(9(8)2)11(3,4)12/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);5-7H,12H2,1-4H3