[4-(4-octoxyphenyl)phenyl] 3-fluoranyl-4-hexoxy-benzoate

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 3-fluoranyl-4-hexoxy-benzoate Openeye Name: [4-(4-octoxyphenyl)phenyl] 3-fluoro-4-hexoxy-benzoate CAS Name: 3-fluoro-4-hexoxybenzoic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 3-fluoro-4-hexoxybenzoate Traditional Name: 3-fluoro-4-hexoxy-benzoic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C33H41FO4 MolecularWeight: 520.674643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCC)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCC)F

InChI

InChI=1S/C33H41FO4/c1-3-5-7-9-10-12-23-36-29-18-13-26(14-19-29)27-15-20-30(21-16-27)38-33(35)28-17-22-32(31(34)25-28)37-24-11-8-6-4-2/h13-22,25H,3-12,23-24H2,1-2H3