bis[(2S)-2-(12-methoxydodecanoyloxy)-3-phenylmethoxy-propyl] dotriaconta-15,17-diynedioate

Systemtic Name: bis[(2S)-2-(12-methoxydodecanoyloxy)-3-phenylmethoxy-propyl] dotriaconta-15,17-diynedioate Openeye Name: bis[(2S)-3-benzyloxy-2-(12-methoxydodecanoyloxy)propyl] dotriaconta-15,17-diynedioate CAS Name: dotriaconta-15,17-diynedioic acid bis[(2S)-2-(12-methoxy-1-oxododecoxy)-3-phenylmethoxypropyl] ester IUPAC Name: bis[(2S)-2-(12-methoxydodecanoyloxy)-3-phenylmethoxypropyl] dotriaconta-15,17-diynedioate Traditional Name: dotriaconta-15,17-diynedioic acid bis[(2S)-3-benzoxy-2-(12-methoxydodecanoyloxy)propyl] ester Formula: C78H126O12 MolecularWeight: 1255.82784

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCCCCCCC(=O)OC(COCC1=CC=CC=C1)COC(=O)CCCCCCCCCCCCCC#CC#CCCCCCCCCCCCCCC(=O)OCC(COCC2=CC=CC=C2)OC(=O)CCCCCCCCCCCOC

Isomeric SMILES

COCCCCCCCCCCCC(=O)O[C@@H](COCC1=CC=CC=C1)COC(=O)CCCCCCCCCCCCCC#CC#CCCCCCCCCCCCCCC(=O)OC[C@H](COCC2=CC=CC=C2)OC(=O)CCCCCCCCCCCOC

InChI

InChI=1S/C78H126O12/c1-83-63-53-41-35-29-23-27-33-39-51-61-77(81)89-73(67-85-65-71-55-45-43-46-56-71)69-87-75(79)59-49-37-31-25-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-26-32-38-50-60-76(80)88-70-74(68-86-66-72-57-47-44-48-58-72)90-78(82)62-52-40-34-28-24-30-36-42-54-64-84-2/h43-48,55-58,73-74H,7-42,49-54,59-70H2,1-2H3/t73-,74-/m0/s1