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

Systemtic Name: S-(4-octylphenyl) 4-(2-fluoranyldecoxy)benzenecarbothioate Openeye Name: S-(4-octylphenyl) 4-(2-fluorodecoxy)benzenecarbothioate CAS Name: 4-(2-fluorodecoxy)benzenecarbothioic acid S-(4-octylphenyl) ester IUPAC Name: S-(4-octylphenyl) 4-(2-fluorodecoxy)benzenecarbothioate Traditional Name: 4-(2-fluorodecoxy)thiobenzoic acid S-(4-octylphenyl) ester Formula: C31H45FO2S MolecularWeight: 500.751203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H45FO2S/c1-3-5-7-9-11-13-15-26-17-23-30(24-18-26)35-31(33)27-19-21-29(22-20-27)34-25-28(32)16-14-12-10-8-6-4-2/h17-24,28H,3-16,25H2,1-2H3