[2,2-bis(hydroxymethyl)-3-[(E)-octadec-9-enoyl]oxy-propyl] octadecanoate

Systemtic Name: [2,2-bis(hydroxymethyl)-3-[(E)-octadec-9-enoyl]oxy-propyl] octadecanoate Openeye Name: [2,2-bis(hydroxymethyl)-3-[(E)-octadec-9-enoyl]oxy-propyl] octadecanoate CAS Name: octadecanoic acid [2,2-bis(hydroxymethyl)-3-[(E)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [2,2-bis(hydroxymethyl)-3-[(E)-octadec-9-enoyl]oxypropyl] octadecanoate Traditional Name: stearic acid [2,2-dimethylol-3-[(E)-octadec-9-enoyl]oxy-propyl] ester Formula: C41H78O6 MolecularWeight: 667.05442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H78O6/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/h17,19,42-43H,3-16,18,20-38H2,1-2H3/b19-17+