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2-[(E)-hexacos-14-en-12-yl]docosanoic acid

2-[(E)-hexacos-14-en-12-yl]docosanoic acid

Systemtic Name:2-[(E)-hexacos-14-en-12-yl]docosanoic acid
Openeye Name:2-[(E)-1-undecylpentadec-3-enyl]docosanoic acid
CAS Name:2-[(E)-hexacos-14-en-12-yl]docosanoic acid
IUPAC Name:2-[(E)-hexacos-14-en-12-yl]docosanoic acid
Traditional Name:(E)-2-arachyl-3-undecyl-heptadec-5-enoic acid
Formula: C48H94O2
MolecularWeight: 703.25876
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCC)CC=CCCCCCCCCCCC)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCC)C/C=C/CCCCCCCCCCC)C(=O)O


InChI

InChI=1S/C48H94O2/c1-4-7-10-13-16-19-21-23-24-25-26-27-28-30-33-36-39-42-45-47(48(49)50)46(43-40-37-34-31-18-15-12-9-6-3)44-41-38-35-32-29-22-20-17-14-11-8-5-2/h38,41,46-47H,4-37,39-40,42-45H2,1-3H3,(H,49,50)/b41-38+


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