[2,2-bis(hydroxymethyl)-3-[(E)-octadec-2-enoyl]oxy-propyl] (E)-octadec-2-enoate

Systemtic Name: [2,2-bis(hydroxymethyl)-3-[(E)-octadec-2-enoyl]oxy-propyl] (E)-octadec-2-enoate Openeye Name: [2,2-bis(hydroxymethyl)-3-[(E)-octadec-2-enoyl]oxy-propyl] (E)-octadec-2-enoate CAS Name: (E)-2-octadecenoic acid [2,2-bis(hydroxymethyl)-3-[(E)-1-oxooctadec-2-enoxy]propyl] ester IUPAC Name: [2,2-bis(hydroxymethyl)-3-[(E)-octadec-2-enoyl]oxypropyl] (E)-octadec-2-enoate Traditional Name: (E)-octadec-2-enoic acid [2,2-dimethylol-3-[(E)-octadec-2-enoyl]oxy-propyl] ester Formula: C41H76O6 MolecularWeight: 665.03854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=CC(=O)OCC(CO)(CO)COC(=O)C=CCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/C(=O)OCC(COC(=O)/C=C/CCCCCCCCCCCCCCC)(CO)CO

InChI

InChI=1S/C41H76O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)46-37-41(35-42,36-43)38-47-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-34,42-43H,3-30,35-38H2,1-2H3/b33-31+,34-32+