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4-[3-(3,7-dimethyloctoxy)phenoxy]carbonyl-2,3-diethyl-6-fluoranyl-benzoic acid

4-[3-(3,7-dimethyloctoxy)phenoxy]carbonyl-2,3-diethyl-6-fluoranyl-benzoic acid

Systemtic Name:4-[3-(3,7-dimethyloctoxy)phenoxy]carbonyl-2,3-diethyl-6-fluoranyl-benzoic acid
Openeye Name:4-[3-(3,7-dimethyloctoxy)phenoxy]carbonyl-2,3-diethyl-6-fluoro-benzoic acid
CAS Name:4-[[3-(3,7-dimethyloctoxy)phenoxy]-oxomethyl]-2,3-diethyl-6-fluorobenzoic acid
IUPAC Name:4-[3-(3,7-dimethyloctoxy)phenoxy]carbonyl-2,3-diethyl-6-fluorobenzoic acid
Traditional Name:4-[3-(3,7-dimethyloctoxy)phenoxy]carbonyl-2,3-diethyl-6-fluoro-benzoic acid
Formula: C28H37FO5
MolecularWeight: 472.588783
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1C(=O)OC2=CC(=CC=C2)OCCC(C)CCCC(C)C)F)C(=O)O)CC


Isomeric SMILES

CCC1=C(C(=C(C=C1C(=O)OC2=CC(=CC=C2)OCCC(C)CCCC(C)C)F)C(=O)O)CC


InChI

InChI=1S/C28H37FO5/c1-6-22-23(7-2)26(27(30)31)25(29)17-24(22)28(32)34-21-13-9-12-20(16-21)33-15-14-19(5)11-8-10-18(3)4/h9,12-13,16-19H,6-8,10-11,14-15H2,1-5H3,(H,30,31)


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