[2,2-dimethyl-3-(12-oxidanyloctadec-9-enoyloxy)propyl] 12-oxidanyloctadec-9-enoate

Systemtic Name: [2,2-dimethyl-3-(12-oxidanyloctadec-9-enoyloxy)propyl] 12-oxidanyloctadec-9-enoate Openeye Name: [3-(12-hydroxyoctadec-9-enoyloxy)-2,2-dimethyl-propyl] 12-hydroxyoctadec-9-enoate CAS Name: 12-hydroxy-9-octadecenoic acid [3-(12-hydroxy-1-oxooctadec-9-enoxy)-2,2-dimethylpropyl] ester IUPAC Name: [3-(12-hydroxyoctadec-9-enoyloxy)-2,2-dimethylpropyl] 12-hydroxyoctadec-9-enoate Traditional Name: 12-hydroxyoctadec-9-enoic acid [3-(12-hydroxyoctadec-9-enoyloxy)-2,2-dimethyl-propyl] ester Formula: C41H76O6 MolecularWeight: 665.03854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCCC=CCC(CCCCCC)O)O

Isomeric SMILES

CCCCCCC(CC=CCCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCCC=CCC(CCCCCC)O)O

InChI

InChI=1S/C41H76O6/c1-5-7-9-23-29-37(42)31-25-19-15-11-13-17-21-27-33-39(44)46-35-41(3,4)36-47-40(45)34-28-22-18-14-12-16-20-26-32-38(43)30-24-10-8-6-2/h19-20,25-26,37-38,42-43H,5-18,21-24,27-36H2,1-4H3