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2-[2,4-bis(2-methylbutan-2-yl)phenoxy]docosanoic acid

2-[2,4-bis(2-methylbutan-2-yl)phenoxy]docosanoic acid

Systemtic Name:2-[2,4-bis(2-methylbutan-2-yl)phenoxy]docosanoic acid
Openeye Name:2-[2,4-bis(1,1-dimethylpropyl)phenoxy]docosanoic acid
CAS Name:2-[2,4-bis(2-methylbutan-2-yl)phenoxy]docosanoic acid
IUPAC Name:2-[2,4-bis(2-methylbutan-2-yl)phenoxy]docosanoic acid
Traditional Name:2-(2,4-ditert-amylphenoxy)behenic acid
Formula: C38H68O3
MolecularWeight: 572.94472
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(C(=O)O)OC1=C(C=C(C=C1)C(C)(C)CC)C(C)(C)CC


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(C(=O)O)OC1=C(C=C(C=C1)C(C)(C)CC)C(C)(C)CC


InChI

InChI=1S/C38H68O3/c1-8-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-35(36(39)40)41-34-30-29-32(37(4,5)9-2)31-33(34)38(6,7)10-3/h29-31,35H,8-28H2,1-7H3,(H,39,40)


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