dodecanoate; heptatriacontan-19-ylazanium

Systemtic Name: dodecanoate; heptatriacontan-19-ylazanium Openeye Name: dodecanoate; 1-octadecylnonadecylammonium CAS Name: dodecanoate; heptatriacontan-19-ylammonium IUPAC Name: dodecanoate; heptatriacontan-19-ylazanium Traditional Name: laurate; 1-stearylnonadecylammonium Formula: C49H101NO2 MolecularWeight: 736.33174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)[NH3+].CCCCCCCCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)[NH3+].CCCCCCCCCCCC(=O)[O-]

InChI

InChI=1S/C37H77N.C12H24O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12(13)14/h37H,3-36,38H2,1-2H3;2-11H2,1H3,(H,13,14)