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18-[2-azanylethyl-(18-oxidanyl-18-oxidanylidene-octadecyl)amino]octadecanoic acid

18-[2-azanylethyl-(18-oxidanyl-18-oxidanylidene-octadecyl)amino]octadecanoic acid

Systemtic Name:18-[2-azanylethyl-(18-oxidanyl-18-oxidanylidene-octadecyl)amino]octadecanoic acid
Openeye Name:18-[2-aminoethyl-(18-hydroxy-18-oxo-octadecyl)amino]octadecanoic acid
CAS Name:18-[2-aminoethyl-(18-hydroxy-18-oxooctadecyl)amino]octadecanoic acid
IUPAC Name:18-[2-aminoethyl-(18-hydroxy-18-oxooctadecyl)amino]octadecanoic acid
Traditional Name:18-[2-aminoethyl-(18-hydroxy-18-keto-octadecyl)amino]stearic acid
Formula: C38H76N2O4
MolecularWeight: 625.02104
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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCCC(=O)O)CCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)O)CCN


Isomeric SMILES

C(CCCCCCCCC(=O)O)CCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)O)CCN


InChI

InChI=1S/C38H76N2O4/c39-33-36-40(34-29-25-21-17-13-9-5-1-3-7-11-15-19-23-27-31-37(41)42)35-30-26-22-18-14-10-6-2-4-8-12-16-20-24-28-32-38(43)44/h1-36,39H2,(H,41,42)(H,43,44)


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