[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] adamantane-1-carboxylate

Systemtic Name: [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] adamantane-1-carboxylate Openeye Name: [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [(2R)-2,3-bis[(Z)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] ester Formula: C50H86O6 MolecularWeight: 785.206782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO[14C](=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C50H86O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-47(51)54-41-46(42-55-49(53)50-38-43-35-44(39-50)37-45(36-43)40-50)56-48(52)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,43-46H,3-16,21-42H2,1-2H3/b19-17-,20-18-/t43?,44?,45?,46-,50?/m1/s1/i49+2