S-(4-dodecoxyphenyl) 4-(2-fluoranylheptoxy)benzenecarbothioate

Systemtic Name: S-(4-dodecoxyphenyl) 4-(2-fluoranylheptoxy)benzenecarbothioate Openeye Name: S-(4-dodecoxyphenyl) 4-(2-fluoroheptoxy)benzenecarbothioate CAS Name: 4-(2-fluoroheptoxy)benzenecarbothioic acid S-(4-dodecoxyphenyl) ester IUPAC Name: S-(4-dodecoxyphenyl) 4-(2-fluoroheptoxy)benzenecarbothioate Traditional Name: 4-(2-fluoroheptoxy)thiobenzoic acid S-(4-lauryloxyphenyl) ester Formula: C32H47FO3S MolecularWeight: 530.777183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)OCC(CCCCC)F

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)OCC(CCCCC)F

InChI

InChI=1S/C32H47FO3S/c1-3-5-7-8-9-10-11-12-13-15-25-35-29-21-23-31(24-22-29)37-32(34)27-17-19-30(20-18-27)36-26-28(33)16-14-6-4-2/h17-24,28H,3-16,25-26H2,1-2H3