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3-[3-oxidanylidene-3-[4-(4-pentylphenyl)phenyl]propyl]octanoic acid

3-[3-oxidanylidene-3-[4-(4-pentylphenyl)phenyl]propyl]octanoic acid

Systemtic Name:3-[3-oxidanylidene-3-[4-(4-pentylphenyl)phenyl]propyl]octanoic acid
Openeye Name:3-[3-oxo-3-[4-(4-pentylphenyl)phenyl]propyl]octanoic acid
CAS Name:3-[3-oxo-3-[4-(4-pentylphenyl)phenyl]propyl]octanoic acid
IUPAC Name:3-[3-oxo-3-[4-(4-pentylphenyl)phenyl]propyl]octanoic acid
Traditional Name:3-[3-[4-(4-amylphenyl)phenyl]-3-keto-propyl]caprylic acid
Formula: C28H38O3
MolecularWeight: 422.59952
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCC(CCCCC)CC(=O)O


Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCC(CCCCC)CC(=O)O


InChI

InChI=1S/C28H38O3/c1-3-5-7-9-22-11-14-24(15-12-22)25-16-18-26(19-17-25)27(29)20-13-23(21-28(30)31)10-8-6-4-2/h11-12,14-19,23H,3-10,13,20-21H2,1-2H3,(H,30,31)


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