methyl(trioctyl)azanium; 2-oxidanylpropanoate

Systemtic Name: methyl(trioctyl)azanium; 2-oxidanylpropanoate Openeye Name: 2-hydroxypropanoate; methyl(trioctyl)ammonium CAS Name: 2-hydroxypropanoate; methyl(trioctyl)ammonium IUPAC Name: 2-hydroxypropanoate; methyl(trioctyl)azanium Traditional Name: lactate; methyl(trioctyl)ammonium Formula: C28H59NO3 MolecularWeight: 457.77296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.CC(C(=O)[O-])O

Isomeric SMILES

CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.CC(C(=O)[O-])O

InChI

InChI=1S/C25H54N.C3H6O3/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;1-2(4)3(5)6/h5-25H2,1-4H3;2,4H,1H3,(H,5,6)/q+1;/p-1