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

Systemtic Name: [4-(4-octylphenyl)phenyl] 3-fluoranyl-4-hexoxy-benzoate Openeye Name: [4-(4-octylphenyl)phenyl] 3-fluoro-4-hexoxy-benzoate CAS Name: 3-fluoro-4-hexoxybenzoic acid [4-(4-octylphenyl)phenyl] ester IUPAC Name: [4-(4-octylphenyl)phenyl] 3-fluoro-4-hexoxybenzoate Traditional Name: 3-fluoro-4-hexoxy-benzoic acid [4-(4-octylphenyl)phenyl] ester Formula: C33H41FO3 MolecularWeight: 504.675243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCC)F

InChI

InChI=1S/C33H41FO3/c1-3-5-7-9-10-11-13-26-14-16-27(17-15-26)28-18-21-30(22-19-28)37-33(35)29-20-23-32(31(34)25-29)36-24-12-8-6-4-2/h14-23,25H,3-13,24H2,1-2H3