dioctylazanium; 4-methylbenzenesulfonate

Systemtic Name: dioctylazanium; 4-methylbenzenesulfonate Openeye Name: dioctylammonium; 4-methylbenzenesulfonate CAS Name: dioctylammonium; 4-methylbenzenesulfonate IUPAC Name: dioctylazanium; 4-methylbenzenesulfonate Traditional Name: dioctylammonium tosylate Formula: C23H43NO3S MolecularWeight: 413.65742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[NH2+]CCCCCCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC[NH2+]CCCCCCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C16H35N.C7H8O3S/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-6-2-4-7(5-3-6)11(8,9)10/h17H,3-16H2,1-2H3;2-5H,1H3,(H,8,9,10)