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docosanoic acid; 2-ethylbutanoic acid

docosanoic acid; 2-ethylbutanoic acid

Systemtic Name:docosanoic acid; 2-ethylbutanoic acid
Openeye Name:docosanoic acid; 2-ethylbutanoic acid
CAS Name:docosanoic acid; 2-ethylbutanoic acid
IUPAC Name:docosanoic acid; 2-ethylbutanoic acid
Traditional Name:behenic acid; 2-ethylbutyric acid
Formula: C28H56O4
MolecularWeight: 456.74184
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)O.CCC(CC)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)O.CCC(CC)C(=O)O


InChI

InChI=1S/C22H44O2.C6H12O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-3-5(4-2)6(7)8/h2-21H2,1H3,(H,23,24);5H,3-4H2,1-2H3,(H,7,8)


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