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2-docosyl-3-oxidanyl-hexacosanoic acid

2-docosyl-3-oxidanyl-hexacosanoic acid

Systemtic Name:2-docosyl-3-oxidanyl-hexacosanoic acid
Openeye Name:2-docosyl-3-hydroxy-hexacosanoic acid
CAS Name:2-docosyl-3-hydroxyhexacosanoic acid
IUPAC Name:2-docosyl-3-hydroxyhexacosanoic acid
Traditional Name:2-behenyl-3-hydroxy-cerotic acid
Formula: C48H96O3
MolecularWeight: 721.27404
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCCCCCC)C(=O)O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCCCCCC)C(=O)O)O


InChI

InChI=1S/C48H96O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47(49)46(48(50)51)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h46-47,49H,3-45H2,1-2H3,(H,50,51)


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