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2-[4-(1-adamantyl)phenoxy]decanoic acid

2-[4-(1-adamantyl)phenoxy]decanoic acid

Systemtic Name:2-[4-(1-adamantyl)phenoxy]decanoic acid
Openeye Name:2-[4-(1-adamantyl)phenoxy]decanoic acid
CAS Name:2-[4-(1-adamantyl)phenoxy]decanoic acid
IUPAC Name:2-[4-(1-adamantyl)phenoxy]decanoic acid
Traditional Name:2-[4-(1-adamantyl)phenoxy]capric acid
Formula: C26H38O3
MolecularWeight: 398.57812
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)O)OC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3


Isomeric SMILES

CCCCCCCCC(C(=O)O)OC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3


InChI

InChI=1S/C26H38O3/c1-2-3-4-5-6-7-8-24(25(27)28)29-23-11-9-22(10-12-23)26-16-19-13-20(17-26)15-21(14-19)18-26/h9-12,19-21,24H,2-8,13-18H2,1H3,(H,27,28)


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