bis[(2S)-2-(8-methoxyoctanoyloxy)-3-phenylmethoxy-propyl] dotriaconta-15,17-diynedioate

Systemtic Name: bis[(2S)-2-(8-methoxyoctanoyloxy)-3-phenylmethoxy-propyl] dotriaconta-15,17-diynedioate Openeye Name: bis[(2S)-3-benzyloxy-2-(8-methoxyoctanoyloxy)propyl] dotriaconta-15,17-diynedioate CAS Name: dotriaconta-15,17-diynedioic acid bis[(2S)-2-(8-methoxy-1-oxooctoxy)-3-phenylmethoxypropyl] ester IUPAC Name: bis[(2S)-2-(8-methoxyoctanoyloxy)-3-phenylmethoxypropyl] dotriaconta-15,17-diynedioate Traditional Name: dotriaconta-15,17-diynedioic acid bis[(2S)-3-benzoxy-2-(8-methoxyoctanoyloxy)propyl] ester Formula: C70H110O12 MolecularWeight: 1143.6152

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCCC(=O)OC(COCC1=CC=CC=C1)COC(=O)CCCCCCCCCCCCCC#CC#CCCCCCCCCCCCCCC(=O)OCC(COCC2=CC=CC=C2)OC(=O)CCCCCCCOC

Isomeric SMILES

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

InChI

InChI=1S/C70H110O12/c1-75-55-45-33-27-31-43-53-69(73)81-65(59-77-57-63-47-37-35-38-48-63)61-79-67(71)51-41-29-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-30-42-52-68(72)80-62-66(60-78-58-64-49-39-36-40-50-64)82-70(74)54-44-32-28-34-46-56-76-2/h35-40,47-50,65-66H,7-34,41-46,51-62H2,1-2H3/t65-,66-/m0/s1