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2-octyldodecyl (E)-docos-13-enoate

2-octyldodecyl (E)-docos-13-enoate

Systemtic Name:2-octyldodecyl (E)-docos-13-enoate
Openeye Name:2-octyldodecyl (E)-docos-13-enoate
CAS Name:(E)-13-docosenoic acid 2-octyldodecyl ester
IUPAC Name:2-octyldodecyl (E)-docos-13-enoate
Traditional Name:(E)-docos-13-enoic acid 2-octyldodecyl ester
Formula: C42H82O2
MolecularWeight: 619.09928
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCCCCC=CCCCCCCCC


Isomeric SMILES

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


InChI

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


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