[2-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]oxy-3-dodecanoyloxy-propyl] dodecanoate

Systemtic Name: [2-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]oxy-3-dodecanoyloxy-propyl] dodecanoate Openeye Name: [2-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]oxy-3-dodecanoyloxy-propyl] dodecanoate CAS Name: dodecanoic acid [2-[(2S)-2-acetamido-3-(4-hydroxyphenyl)-1-oxopropoxy]-3-(1-oxododecoxy)propyl] ester IUPAC Name: [2-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]oxy-3-dodecanoyloxypropyl] dodecanoate Traditional Name: lauric acid [2-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]oxy-3-lauroyloxy-propyl] ester Formula: C38H63NO8 MolecularWeight: 661.90872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C

InChI

InChI=1S/C38H63NO8/c1-4-6-8-10-12-14-16-18-20-22-36(42)45-29-34(30-46-37(43)23-21-19-17-15-13-11-9-7-5-2)47-38(44)35(39-31(3)40)28-32-24-26-33(41)27-25-32/h24-27,34-35,41H,4-23,28-30H2,1-3H3,(H,39,40)/t35-/m0/s1