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1-[4-(4-hexylphenyl)phenyl]ethyl 5-methyloctanoate

1-[4-(4-hexylphenyl)phenyl]ethyl 5-methyloctanoate

Systemtic Name:1-[4-(4-hexylphenyl)phenyl]ethyl 5-methyloctanoate
Openeye Name:1-[4-(4-hexylphenyl)phenyl]ethyl 5-methyloctanoate
CAS Name:5-methyloctanoic acid 1-[4-(4-hexylphenyl)phenyl]ethyl ester
IUPAC Name:1-[4-(4-hexylphenyl)phenyl]ethyl 5-methyloctanoate
Traditional Name:5-methylcaprylic acid 1-[4-(4-hexylphenyl)phenyl]ethyl ester
Formula: C29H42O2
MolecularWeight: 422.64258
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CCCC(C)CCC


Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CCCC(C)CCC


InChI

InChI=1S/C29H42O2/c1-5-7-8-9-13-25-15-17-27(18-16-25)28-21-19-26(20-22-28)24(4)31-29(30)14-10-12-23(3)11-6-2/h15-24H,5-14H2,1-4H3


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