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1-[4-(4-octoxyphenyl)phenyl]ethyl 4-methylhexanoate

1-[4-(4-octoxyphenyl)phenyl]ethyl 4-methylhexanoate

Systemtic Name:1-[4-(4-octoxyphenyl)phenyl]ethyl 4-methylhexanoate
Openeye Name:1-[4-(4-octoxyphenyl)phenyl]ethyl 4-methylhexanoate
CAS Name:4-methylhexanoic acid 1-[4-(4-octoxyphenyl)phenyl]ethyl ester
IUPAC Name:1-[4-(4-octoxyphenyl)phenyl]ethyl 4-methylhexanoate
Traditional Name:4-methylhexanoic acid 1-[4-(4-octoxyphenyl)phenyl]ethyl ester
Formula: C29H42O3
MolecularWeight: 438.64198
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CCC(C)CC


Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CCC(C)CC


InChI

InChI=1S/C29H42O3/c1-5-7-8-9-10-11-22-31-28-19-17-27(18-20-28)26-15-13-25(14-16-26)24(4)32-29(30)21-12-23(3)6-2/h13-20,23-24H,5-12,21-22H2,1-4H3


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