4-(3-fluoranyl-4-octoxy-phenyl)-3-[4-(2-pentanoyloxypropoxy)phenyl]benzoate

Systemtic Name: 4-(3-fluoranyl-4-octoxy-phenyl)-3-[4-(2-pentanoyloxypropoxy)phenyl]benzoate Openeye Name: 4-(3-fluoro-4-octoxy-phenyl)-3-[4-(2-pentanoyloxypropoxy)phenyl]benzoate CAS Name: 4-(3-fluoro-4-octoxyphenyl)-3-[4-[2-(1-oxopentoxy)propoxy]phenyl]benzoate IUPAC Name: 4-(3-fluoro-4-octoxyphenyl)-3-[4-(2-pentanoyloxypropoxy)phenyl]benzoate Traditional Name: 4-(3-fluoro-4-octoxy-phenyl)-3-[4-(2-valeryloxypropoxy)phenyl]benzoate Formula: C35H42FO6- MolecularWeight: 577.702783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)[O-])C3=CC=C(C=C3)OCC(C)OC(=O)CCCC)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)[O-])C3=CC=C(C=C3)OCC(C)OC(=O)CCCC)F

InChI

InChI=1S/C35H43FO6/c1-4-6-8-9-10-11-21-40-33-20-16-27(23-32(33)36)30-19-15-28(35(38)39)22-31(30)26-13-17-29(18-14-26)41-24-25(3)42-34(37)12-7-5-2/h13-20,22-23,25H,4-12,21,24H2,1-3H3,(H,38,39)/p-1