2-[(E)-octadec-9-enoyl]oxyhexyl (E)-octadec-9-enoate

Systemtic Name: 2-[(E)-octadec-9-enoyl]oxyhexyl (E)-octadec-9-enoate Openeye Name: 2-[(E)-octadec-9-enoyl]oxyhexyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid 2-[(E)-1-oxooctadec-9-enoxy]hexyl ester IUPAC Name: 2-[(E)-octadec-9-enoyl]oxyhexyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid 2-[(E)-octadec-9-enoyl]oxyhexyl ester Formula: C42H78O4 MolecularWeight: 647.06632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(CCCC)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C42H78O4/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-37-41(43)45-39-40(36-9-6-3)46-42(44)38-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h20-23,40H,4-19,24-39H2,1-3H3/b22-20+,23-21+