[2-(hydroxymethyl)-2-methyl-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate

Systemtic Name: [2-(hydroxymethyl)-2-methyl-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate Openeye Name: [2-(hydroxymethyl)-2-methyl-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [2-(hydroxymethyl)-2-methyl-3-[(E)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [2-(hydroxymethyl)-2-methyl-3-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [2-methyl-2-methylol-3-[(E)-octadec-9-enoyl]oxy-propyl] ester Formula: C41H76O5 MolecularWeight: 649.03914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H76O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39(43)45-37-41(3,36-42)38-46-40(44)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,42H,4-17,22-38H2,1-3H3/b20-18+,21-19+