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

Systemtic Name: S-(4-octoxyphenyl) 4-(2-fluoranyldecoxy)benzenecarbothioate Openeye Name: S-(4-octoxyphenyl) 4-(2-fluorodecoxy)benzenecarbothioate CAS Name: 4-(2-fluorodecoxy)benzenecarbothioic acid S-(4-octoxyphenyl) ester IUPAC Name: S-(4-octoxyphenyl) 4-(2-fluorodecoxy)benzenecarbothioate Traditional Name: 4-(2-fluorodecoxy)thiobenzoic acid S-(4-octoxyphenyl) ester Formula: C31H45FO3S MolecularWeight: 516.750603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(COC1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)OCCCCCCCC)F

Isomeric SMILES

CCCCCCCCC(COC1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)OCCCCCCCC)F

InChI

InChI=1S/C31H45FO3S/c1-3-5-7-9-11-13-15-27(32)25-35-29-18-16-26(17-19-29)31(33)36-30-22-20-28(21-23-30)34-24-14-12-10-8-6-4-2/h16-23,27H,3-15,24-25H2,1-2H3