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3-docosylheptacosanoic acid

3-docosylheptacosanoic acid

Systemtic Name:3-docosylheptacosanoic acid
Openeye Name:3-docosylheptacosanoic acid
CAS Name:3-docosylheptacosanoic acid
IUPAC Name:3-docosylheptacosanoic acid
Traditional Name:3-behenylheptacosanoic acid
Formula: C49H98O2
MolecularWeight: 719.30122
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCCCC)CC(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCCCC)CC(=O)O


InChI

InChI=1S/C49H98O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-42-44-46-48(47-49(50)51)45-43-41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-4-2/h48H,3-47H2,1-2H3,(H,50,51)


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