5,6-dibutylicosan-5-ylazanium; 2-oxidanylpropanoate

Systemtic Name: 5,6-dibutylicosan-5-ylazanium; 2-oxidanylpropanoate Openeye Name: 2-hydroxypropanoate; 1,1,2-tributylhexadecylammonium CAS Name: 5,6-dibutyleicosan-5-ylammonium; 2-hydroxypropanoate IUPAC Name: 5,6-dibutylicosan-5-ylazanium; 2-hydroxypropanoate Traditional Name: lactate; 1,1,2-tributylhexadecylammonium Formula: C31H65NO3 MolecularWeight: 499.8527

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCCC)C(CCCC)(CCCC)[NH3+].CC(C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCC(CCCC)C(CCCC)(CCCC)[NH3+].CC(C(=O)[O-])O

InChI

InChI=1S/C28H59N.C3H6O3/c1-5-9-13-14-15-16-17-18-19-20-21-22-24-27(23-10-6-2)28(29,25-11-7-3)26-12-8-4;1-2(4)3(5)6/h27H,5-26,29H2,1-4H3;2,4H,1H3,(H,5,6)