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4-(2-fluoranyloctoxy)-2-(2-octoxyphenyl)thiobenzate

4-(2-fluoranyloctoxy)-2-(2-octoxyphenyl)thiobenzate

Systemtic Name:4-(2-fluoranyloctoxy)-2-(2-octoxyphenyl)thiobenzate
Openeye Name:4-(2-fluorooctoxy)-2-(2-octoxyphenyl)thiobenzate
CAS Name:4-(2-fluorooctoxy)-2-(2-octoxyphenyl)thiobenzate
IUPAC Name:4-(2-fluorooctoxy)-2-(2-octoxyphenyl)thiobenzate
Traditional Name:4-(2-fluorooctoxy)-2-(2-octoxyphenyl)thiobenzate
Formula: C29H40FO3S-
MolecularWeight: 487.689503
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC=C1C2=C(C=CC(=C2)OCC(CCCCCC)F)C(=S)[O-]


Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1C2=C(C=CC(=C2)OCC(CCCCCC)F)C(=S)[O-]


InChI

InChI=1S/C29H41FO3S/c1-3-5-7-9-10-14-20-32-28-17-13-12-16-25(28)27-21-24(18-19-26(27)29(31)34)33-22-23(30)15-11-8-6-4-2/h12-13,16-19,21,23H,3-11,14-15,20,22H2,1-2H3,(H,31,34)/p-1


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