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2,2-dimethyl-8-[4-(4-phenylbutyl)phenoxy]octanoic acid

2,2-dimethyl-8-[4-(4-phenylbutyl)phenoxy]octanoic acid

Systemtic Name:2,2-dimethyl-8-[4-(4-phenylbutyl)phenoxy]octanoic acid
Openeye Name:2,2-dimethyl-8-[4-(4-phenylbutyl)phenoxy]octanoic acid
CAS Name:2,2-dimethyl-8-[4-(4-phenylbutyl)phenoxy]octanoic acid
IUPAC Name:2,2-dimethyl-8-[4-(4-phenylbutyl)phenoxy]octanoic acid
Traditional Name:2,2-dimethyl-8-[4-(4-phenylbutyl)phenoxy]caprylic acid
Formula: C26H36O3
MolecularWeight: 396.56224
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCCCOC1=CC=C(C=C1)CCCCC2=CC=CC=C2)C(=O)O


Isomeric SMILES

CC(C)(CCCCCCOC1=CC=C(C=C1)CCCCC2=CC=CC=C2)C(=O)O


InChI

InChI=1S/C26H36O3/c1-26(2,25(27)28)20-10-3-4-11-21-29-24-18-16-23(17-19-24)15-9-8-14-22-12-6-5-7-13-22/h5-7,12-13,16-19H,3-4,8-11,14-15,20-21H2,1-2H3,(H,27,28)


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