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4-(2-fluoranylundecoxy)-2-(2-heptoxyphenyl)thiobenzate

4-(2-fluoranylundecoxy)-2-(2-heptoxyphenyl)thiobenzate

Systemtic Name:4-(2-fluoranylundecoxy)-2-(2-heptoxyphenyl)thiobenzate
Openeye Name:4-(2-fluoroundecoxy)-2-(2-heptoxyphenyl)thiobenzate
CAS Name:4-(2-fluoroundecoxy)-2-(2-heptoxyphenyl)thiobenzate
IUPAC Name:4-(2-fluoroundecoxy)-2-(2-heptoxyphenyl)thiobenzate
Traditional Name:4-(2-fluoroundecoxy)-2-(2-heptoxyphenyl)thiobenzate
Formula: C31H44FO3S-
MolecularWeight: 515.742663
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(COC1=CC(=C(C=C1)C(=S)[O-])C2=CC=CC=C2OCCCCCCC)F


Isomeric SMILES

CCCCCCCCCC(COC1=CC(=C(C=C1)C(=S)[O-])C2=CC=CC=C2OCCCCCCC)F


InChI

InChI=1S/C31H45FO3S/c1-3-5-7-9-10-11-13-17-25(32)24-35-26-20-21-28(31(33)36)29(23-26)27-18-14-15-19-30(27)34-22-16-12-8-6-4-2/h14-15,18-21,23,25H,3-13,16-17,22,24H2,1-2H3,(H,33,36)/p-1


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