4-methylbenzenesulfonate; N-methyl-N-octadecyl-octadecan-1-amine

Systemtic Name: 4-methylbenzenesulfonate; N-methyl-N-octadecyl-octadecan-1-amine Openeye Name: 4-methylbenzenesulfonate; N-methyl-N-octadecyl-octadecan-1-amine CAS Name: 4-methylbenzenesulfonate; N-methyl-N-octadecyl-1-octadecanamine IUPAC Name: 4-methylbenzenesulfonate; N-methyl-N-octadecyloctadecan-1-amine Traditional Name: methyl(distearyl)amine tosylate Formula: C44H84NO3S- MolecularWeight: 707.20766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C37H77N.C7H8O3S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-6-2-4-7(5-3-6)11(8,9)10/h4-37H2,1-3H3;2-5H,1H3,(H,8,9,10)/p-1