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3-phenylmethoxy-2-tetradecyl-docosanoic acid

3-phenylmethoxy-2-tetradecyl-docosanoic acid

Systemtic Name:3-phenylmethoxy-2-tetradecyl-docosanoic acid
Openeye Name:3-benzyloxy-2-tetradecyl-docosanoic acid
CAS Name:3-phenylmethoxy-2-tetradecyldocosanoic acid
IUPAC Name:3-phenylmethoxy-2-tetradecyldocosanoic acid
Traditional Name:3-benzoxy-2-myristyl-behenic acid
Formula: C43H78O3
MolecularWeight: 643.07762
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCC)C(=O)O)OCC1=CC=CC=C1


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCC)C(=O)O)OCC1=CC=CC=C1


InChI

InChI=1S/C43H78O3/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-34-38-42(46-39-40-35-31-30-32-36-40)41(43(44)45)37-33-28-26-24-22-16-14-12-10-8-6-4-2/h30-32,35-36,41-42H,3-29,33-34,37-39H2,1-2H3,(H,44,45)


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