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8-[4-(5-octylpyridin-2-yl)phenoxy]octan-2-yl hexanoate

8-[4-(5-octylpyridin-2-yl)phenoxy]octan-2-yl hexanoate

Systemtic Name:8-[4-(5-octylpyridin-2-yl)phenoxy]octan-2-yl hexanoate
Openeye Name:[1-methyl-7-[4-(5-octyl-2-pyridyl)phenoxy]heptyl] hexanoate
CAS Name:hexanoic acid 8-[4-(5-octyl-2-pyridinyl)phenoxy]octan-2-yl ester
IUPAC Name:8-[4-(5-octylpyridin-2-yl)phenoxy]octan-2-yl hexanoate
Traditional Name:hexanoic acid [1-methyl-7-[4-(5-octyl-2-pyridyl)phenoxy]heptyl] ester
Formula: C33H51NO3
MolecularWeight: 509.76294
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OCCCCCCC(C)OC(=O)CCCCC


Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OCCCCCCC(C)OC(=O)CCCCC


InChI

InChI=1S/C33H51NO3/c1-4-6-8-9-10-15-18-29-20-25-32(34-27-29)30-21-23-31(24-22-30)36-26-16-12-11-14-17-28(3)37-33(35)19-13-7-5-2/h20-25,27-28H,4-19,26H2,1-3H3


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