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(12-hexyl-12-oxidanyl-11-pentyl-henicosan-10-yl) dodecanoate

(12-hexyl-12-oxidanyl-11-pentyl-henicosan-10-yl) dodecanoate

Systemtic Name:(12-hexyl-12-oxidanyl-11-pentyl-henicosan-10-yl) dodecanoate
Openeye Name:(3-hexyl-3-hydroxy-1-nonyl-2-pentyl-dodecyl) dodecanoate
CAS Name:dodecanoic acid (12-hexyl-12-hydroxy-11-pentylheneicosan-10-yl) ester
IUPAC Name:(12-hexyl-12-hydroxy-11-pentylhenicosan-10-yl) dodecanoate
Traditional Name:lauric acid (2-amyl-3-hexyl-3-hydroxy-1-nonyl-dodecyl) ester
Formula: C44H88O3
MolecularWeight: 665.16772
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC(CCCCCCCCC)C(CCCCC)C(CCCCCC)(CCCCCCCCC)O


Isomeric SMILES

CCCCCCCCCCCC(=O)OC(CCCCCCCCC)C(CCCCC)C(CCCCCC)(CCCCCCCCC)O


InChI

InChI=1S/C44H88O3/c1-6-11-16-20-23-24-26-29-33-38-43(45)47-42(37-32-28-25-21-17-12-7-2)41(36-31-15-10-5)44(46,39-34-19-14-9-4)40-35-30-27-22-18-13-8-3/h41-42,46H,6-40H2,1-5H3


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