3-(hydroxymethyl)-2,6-dimethyl-phenol; methylbenzene; methyl(trioctyl)azanium; chloride

Systemtic Name: 3-(hydroxymethyl)-2,6-dimethyl-phenol; methylbenzene; methyl(trioctyl)azanium; chloride Openeye Name: 3-(hydroxymethyl)-2,6-dimethyl-phenol; methyl(trioctyl)ammonium; toluene; chloride CAS Name: 3-(hydroxymethyl)-2,6-dimethylphenol; methyl(trioctyl)ammonium; toluene; chloride IUPAC Name: 3-(hydroxymethyl)-2,6-dimethylphenol; methyl(trioctyl)azanium; toluene; chloride Traditional Name: 2,6-dimethyl-3-methylol-phenol; methyl(trioctyl)ammonium; toluene; chloride Formula: C41H74ClNO2 MolecularWeight: 648.48476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.CC1=CC=CC=C1.CC1=C(C(=C(C=C1)CO)C)O.[Cl-]

Isomeric SMILES

CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.CC1=CC=CC=C1.CC1=C(C(=C(C=C1)CO)C)O.[Cl-]

InChI

InChI=1S/C25H54N.C9H12O2.C7H8.ClH/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;1-6-3-4-8(5-10)7(2)9(6)11;1-7-5-3-2-4-6-7;/h5-25H2,1-4H3;3-4,10-11H,5H2,1-2H3;2-6H,1H3;1H/q+1;;;/p-1