S-(4-octylphenyl) 4-(2-fluoranyloctoxy)benzenecarbothioate

Systemtic Name: S-(4-octylphenyl) 4-(2-fluoranyloctoxy)benzenecarbothioate Openeye Name: S-(4-octylphenyl) 4-(2-fluorooctoxy)benzenecarbothioate CAS Name: 4-(2-fluorooctoxy)benzenecarbothioic acid S-(4-octylphenyl) ester IUPAC Name: S-(4-octylphenyl) 4-(2-fluorooctoxy)benzenecarbothioate Traditional Name: 4-(2-fluorooctoxy)thiobenzoic acid S-(4-octylphenyl) ester Formula: C29H41FO2S MolecularWeight: 472.698043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)OCC(CCCCCC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)OCC(CCCCCC)F

InChI

InChI=1S/C29H41FO2S/c1-3-5-7-9-10-11-13-24-15-21-28(22-16-24)33-29(31)25-17-19-27(20-18-25)32-23-26(30)14-12-8-6-4-2/h15-22,26H,3-14,23H2,1-2H3