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2-[ethyl(dimethyl)azaniumyl]-18-hexadecoxy-2-methyl-18-oxidanylidene-octadecanoate

2-[ethyl(dimethyl)azaniumyl]-18-hexadecoxy-2-methyl-18-oxidanylidene-octadecanoate

Systemtic Name:2-[ethyl(dimethyl)azaniumyl]-18-hexadecoxy-2-methyl-18-oxidanylidene-octadecanoate
Openeye Name:2-[ethyl(dimethyl)ammonio]-18-hexadecoxy-2-methyl-18-oxo-octadecanoate
CAS Name:2-[ethyl(dimethyl)ammonio]-18-hexadecoxy-2-methyl-18-oxooctadecanoate
IUPAC Name:2-[ethyl(dimethyl)azaniumyl]-18-hexadecoxy-2-methyl-18-oxooctadecanoate
Traditional Name:18-cetyloxy-2-[ethyl(dimethyl)ammonio]-18-keto-2-methyl-stearate
Formula: C39H77NO4
MolecularWeight: 624.03298
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCC(C)(C(=O)[O-])[N+](C)(C)CC


Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCC(C)(C(=O)[O-])[N+](C)(C)CC


InChI

InChI=1S/C39H77NO4/c1-6-8-9-10-11-12-13-14-18-21-24-27-30-33-36-44-37(41)34-31-28-25-22-19-16-15-17-20-23-26-29-32-35-39(3,38(42)43)40(4,5)7-2/h6-36H2,1-5H3


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