docosyl (E)-docos-13-enoate

Systemtic Name: docosyl (E)-docos-13-enoate Openeye Name: docosyl (E)-docos-13-enoate CAS Name: (E)-13-docosenoic acid docosyl ester IUPAC Name: docosyl (E)-docos-13-enoate Traditional Name: (E)-docos-13-enoic acid behenyl ester Formula: C44H86O2 MolecularWeight: 647.15244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C44H86O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-46-44(45)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20H,3-17,19,21-43H2,1-2H3/b20-18+