[2-(hydroxymethyl)-2-[[(Z)-octadec-9-enoyl]oxymethyl]butyl] (Z)-octadec-9-enoate

Systemtic Name: [2-(hydroxymethyl)-2-[[(Z)-octadec-9-enoyl]oxymethyl]butyl] (Z)-octadec-9-enoate Openeye Name: [2-(hydroxymethyl)-2-[[(Z)-octadec-9-enoyl]oxymethyl]butyl] (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [2-(hydroxymethyl)-2-[[(Z)-1-oxooctadec-9-enoxy]methyl]butyl] ester IUPAC Name: [2-(hydroxymethyl)-2-[[(Z)-octadec-9-enoyl]oxymethyl]butyl] (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [2-methylol-2-[[(Z)-octadec-9-enoyl]oxymethyl]butyl] ester Formula: C42H78O5 MolecularWeight: 663.06572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H78O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(44)46-38-42(6-3,37-43)39-47-41(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h19-22,43H,4-18,23-39H2,1-3H3/b21-19-,22-20-