4,5-bis[[(E)-octadec-9-enoyl]oxy]pentanoic acid

Systemtic Name: 4,5-bis[[(E)-octadec-9-enoyl]oxy]pentanoic acid Openeye Name: 4,5-bis[[(E)-octadec-9-enoyl]oxy]pentanoic acid CAS Name: 4,5-bis[(E)-1-oxooctadec-9-enoxy]pentanoic acid IUPAC Name: 4,5-bis[[(E)-octadec-9-enoyl]oxy]pentanoic acid Traditional Name: 4,5-bis[[(E)-octadec-9-enoyl]oxy]valeric acid Formula: C41H74O6 MolecularWeight: 663.02266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(CCC(=O)O)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CCC(=O)O)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C41H74O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)46-37-38(35-36-39(42)43)47-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,38H,3-16,21-37H2,1-2H3,(H,42,43)/b19-17+,20-18+