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2-[2-fluoranyl-4-(4-octylphenyl)phenoxy]propyl octanoate

2-[2-fluoranyl-4-(4-octylphenyl)phenoxy]propyl octanoate

Systemtic Name:2-[2-fluoranyl-4-(4-octylphenyl)phenoxy]propyl octanoate
Openeye Name:2-[2-fluoro-4-(4-octylphenyl)phenoxy]propyl octanoate
CAS Name:octanoic acid 2-[2-fluoro-4-(4-octylphenyl)phenoxy]propyl ester
IUPAC Name:2-[2-fluoro-4-(4-octylphenyl)phenoxy]propyl octanoate
Traditional Name:caprylic acid 2-[2-fluoro-4-(4-octylphenyl)phenoxy]propyl ester
Formula: C31H45FO3
MolecularWeight: 484.685603
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(C)COC(=O)CCCCCCC)F


Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(C)COC(=O)CCCCCCC)F


InChI

InChI=1S/C31H45FO3/c1-4-6-8-10-12-13-15-26-17-19-27(20-18-26)28-21-22-30(29(32)23-28)35-25(3)24-34-31(33)16-14-11-9-7-5-2/h17-23,25H,4-16,24H2,1-3H3


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