2-ethylhexyl 3-[4-(4-fluorophenyl)phenyl]sulfanylpropanoate

Systemtic Name: 2-ethylhexyl 3-[4-(4-fluorophenyl)phenyl]sulfanylpropanoate Openeye Name: 2-ethylhexyl 3-[4-(4-fluorophenyl)phenyl]sulfanylpropanoate CAS Name: 3-[[4-(4-fluorophenyl)phenyl]thio]propanoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 3-[4-(4-fluorophenyl)phenyl]sulfanylpropanoate Traditional Name: 3-[[4-(4-fluorophenyl)phenyl]thio]propionic acid 2-ethylhexyl ester Formula: C23H29FO2S MolecularWeight: 388.538563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CCSC1=CC=C(C=C1)C2=CC=C(C=C2)F

Isomeric SMILES

CCCCC(CC)COC(=O)CCSC1=CC=C(C=C1)C2=CC=C(C=C2)F

InChI

InChI=1S/C23H29FO2S/c1-3-5-6-18(4-2)17-26-23(25)15-16-27-22-13-9-20(10-14-22)19-7-11-21(24)12-8-19/h7-14,18H,3-6,15-17H2,1-2H3