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

Systemtic Name: [4-[2-azanyl-3,3-bis(oxidanyl)propyl]phenyl] hexadecanoate Openeye Name: [4-(2-amino-3,3-dihydroxy-propyl)phenyl] hexadecanoate CAS Name: hexadecanoic acid [4-(2-amino-3,3-dihydroxypropyl)phenyl] ester IUPAC Name: [4-(2-amino-3,3-dihydroxypropyl)phenyl] hexadecanoate Traditional Name: palmitic acid [4-(2-amino-3,3-dihydroxy-propyl)phenyl] ester Formula: C25H43NO4 MolecularWeight: 421.61322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)CC(C(O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)CC(C(O)O)N

InChI

InChI=1S/C25H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(27)30-22-18-16-21(17-19-22)20-23(26)25(28)29/h16-19,23,25,28-29H,2-15,20,26H2,1H3