icosyl (E)-docos-13-enoate

Systemtic Name: icosyl (E)-docos-13-enoate Openeye Name: icosyl (E)-docos-13-enoate CAS Name: (E)-13-docosenoic acid eicosyl ester IUPAC Name: icosyl (E)-docos-13-enoate Traditional Name: (E)-docos-13-enoic acid arachyl ester Formula: C42H82O2 MolecularWeight: 619.09928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C42H82O2/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42(43)44-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-41H2,1-2H3/b19-17+