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

Systemtic Name: S-(4-octoxyphenyl) 4-(2-fluoranyloctoxy)benzenecarbothioate Openeye Name: S-(4-octoxyphenyl) 4-(2-fluorooctoxy)benzenecarbothioate CAS Name: 4-(2-fluorooctoxy)benzenecarbothioic acid S-(4-octoxyphenyl) ester IUPAC Name: S-(4-octoxyphenyl) 4-(2-fluorooctoxy)benzenecarbothioate Traditional Name: 4-(2-fluorooctoxy)thiobenzoic acid S-(4-octoxyphenyl) ester Formula: C29H41FO3S MolecularWeight: 488.697443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)OCC(CCCCCC)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)OCC(CCCCCC)F

InChI

InChI=1S/C29H41FO3S/c1-3-5-7-9-10-12-22-32-26-18-20-28(21-19-26)34-29(31)24-14-16-27(17-15-24)33-23-25(30)13-11-8-6-4-2/h14-21,25H,3-13,22-23H2,1-2H3