[2-(12-methoxydodecanoyloxy)-3-phenylmethoxy-propyl] hexadec-15-ynoate

Systemtic Name: [2-(12-methoxydodecanoyloxy)-3-phenylmethoxy-propyl] hexadec-15-ynoate Openeye Name: [3-benzyloxy-2-(12-methoxydodecanoyloxy)propyl] hexadec-15-ynoate CAS Name: 15-hexadecynoic acid [2-(12-methoxy-1-oxododecoxy)-3-phenylmethoxypropyl] ester IUPAC Name: [2-(12-methoxydodecanoyloxy)-3-phenylmethoxypropyl] hexadec-15-ynoate Traditional Name: hexadec-15-ynoic acid [3-benzoxy-2-(12-methoxydodecanoyloxy)propyl] ester Formula: C39H64O6 MolecularWeight: 628.92186

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCCCCCCC(=O)OC(COCC1=CC=CC=C1)COC(=O)CCCCCCCCCCCCCC#C

Isomeric SMILES

COCCCCCCCCCCCC(=O)OC(COCC1=CC=CC=C1)COC(=O)CCCCCCCCCCCCCC#C

InChI

InChI=1S/C39H64O6/c1-3-4-5-6-7-8-9-10-11-13-16-19-25-30-38(40)44-35-37(34-43-33-36-28-23-22-24-29-36)45-39(41)31-26-20-17-14-12-15-18-21-27-32-42-2/h1,22-24,28-29,37H,4-21,25-27,30-35H2,2H3