icosan-9-yl (Z)-docos-13-enoate

Systemtic Name: icosan-9-yl (Z)-docos-13-enoate Openeye Name: 1-octyldodecyl (Z)-docos-13-enoate CAS Name: (Z)-13-docosenoic acid eicosan-9-yl ester IUPAC Name: icosan-9-yl (Z)-docos-13-enoate Traditional Name: (Z)-docos-13-enoic acid 1-octyldodecyl ester Formula: C42H82O2 MolecularWeight: 619.09928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C42H82O2/c1-4-7-10-13-16-18-19-20-21-22-23-24-25-26-27-29-31-34-37-40-42(43)44-41(38-35-32-15-12-9-6-3)39-36-33-30-28-17-14-11-8-5-2/h20-21,41H,4-19,22-40H2,1-3H3/b21-20-