dodecyl(trioctyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: dodecyl(trioctyl)azanium; 4-methylbenzenesulfonate Openeye Name: dodecyl(trioctyl)ammonium; 4-methylbenzenesulfonate CAS Name: dodecyl(trioctyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: dodecyl(trioctyl)azanium; 4-methylbenzenesulfonate Traditional Name: lauryl(trioctyl)ammonium tosylate Formula: C43H83NO3S MolecularWeight: 694.18902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C36H76N.C7H8O3S/c1-5-9-13-17-21-22-23-24-28-32-36-37(33-29-25-18-14-10-6-2,34-30-26-19-15-11-7-3)35-31-27-20-16-12-8-4;1-6-2-4-7(5-3-6)11(8,9)10/h5-36H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1