2,2-bis[[(E)-octadec-9-enoyl]oxymethyl]propanedioic acid

Systemtic Name: 2,2-bis[[(E)-octadec-9-enoyl]oxymethyl]propanedioic acid Openeye Name: 2,2-bis[[(E)-octadec-9-enoyl]oxymethyl]propanedioic acid CAS Name: 2,2-bis[[(E)-1-oxooctadec-9-enoxy]methyl]propanedioic acid IUPAC Name: 2,2-bis[[(E)-octadec-9-enoyl]oxymethyl]propanedioic acid Traditional Name: 2,2-bis[[(E)-octadec-9-enoyl]oxymethyl]malonic acid Formula: C41H72O8 MolecularWeight: 693.00558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(C(=O)O)(C(=O)O)COC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C41H72O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(42)48-35-41(39(44)45,40(46)47)36-49-38(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3,(H,44,45)(H,46,47)/b19-17+,20-18+