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1-[4-(4-pentylphenyl)phenyl]ethyl 6-methyloctanoate

1-[4-(4-pentylphenyl)phenyl]ethyl 6-methyloctanoate

Systemtic Name:1-[4-(4-pentylphenyl)phenyl]ethyl 6-methyloctanoate
Openeye Name:1-[4-(4-pentylphenyl)phenyl]ethyl 6-methyloctanoate
CAS Name:6-methyloctanoic acid 1-[4-(4-pentylphenyl)phenyl]ethyl ester
IUPAC Name:1-[4-(4-pentylphenyl)phenyl]ethyl 6-methyloctanoate
Traditional Name:6-methylcaprylic acid 1-[4-(4-amylphenyl)phenyl]ethyl ester
Formula: C28H40O2
MolecularWeight: 408.616
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C28H40O2/c1-5-7-8-12-24-14-16-26(17-15-24)27-20-18-25(19-21-27)23(4)30-28(29)13-10-9-11-22(3)6-2/h14-23H,5-13H2,1-4H3


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