N,N-dioctyloctan-1-amine; ethanoic acid; 4-methylbenzenesulfonic acid

Systemtic Name: N,N-dioctyloctan-1-amine; ethanoic acid; 4-methylbenzenesulfonic acid Openeye Name: acetic acid; N,N-dioctyloctan-1-amine; 4-methylbenzenesulfonic acid CAS Name: acetic acid; N,N-dioctyl-1-octanamine; 4-methylbenzenesulfonic acid IUPAC Name: acetic acid; N,N-dioctyloctan-1-amine; 4-methylbenzenesulfonic acid Traditional Name: acetic acid; tosylic acid; trioctylamine Formula: C33H63NO5S MolecularWeight: 585.92202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)CCCCCCCC.CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)O

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)CCCCCCCC.CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)O

InChI

InChI=1S/C24H51N.C7H8O3S.C2H4O2/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-6-2-4-7(5-3-6)11(8,9)10;1-2(3)4/h4-24H2,1-3H3;2-5H,1H3,(H,8,9,10);1H3,(H,3,4)