[2-[2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoyl]oxy-3-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [2-[2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoyl]oxy-3-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [2-[2-amino-3-(3,4-dihydroxyphenyl)propanoyl]oxy-3-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [2-[2-amino-3-(3,4-dihydroxyphenyl)-1-oxopropoxy]-3-(1-oxohexadecoxy)propyl] ester IUPAC Name: [2-[2-amino-3-(3,4-dihydroxyphenyl)propanoyl]oxy-3-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [2-[2-amino-3-(3,4-dihydroxyphenyl)propanoyl]oxy-3-hexadecanoyloxy-propyl] ester Formula: C44H77NO8 MolecularWeight: 748.08408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)C(CC1=CC(=C(C=C1)O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)C(CC1=CC(=C(C=C1)O)O)N

InChI

InChI=1S/C44H77NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-42(48)51-35-38(53-44(50)39(45)33-37-31-32-40(46)41(47)34-37)36-52-43(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,34,38-39,46-47H,3-30,33,35-36,45H2,1-2H3