[4-(4-nonylphenyl)phenyl] 3-fluoranyl-4-octoxy-benzoate

Systemtic Name: [4-(4-nonylphenyl)phenyl] 3-fluoranyl-4-octoxy-benzoate Openeye Name: [4-(4-nonylphenyl)phenyl] 3-fluoro-4-octoxy-benzoate CAS Name: 3-fluoro-4-octoxybenzoic acid [4-(4-nonylphenyl)phenyl] ester IUPAC Name: [4-(4-nonylphenyl)phenyl] 3-fluoro-4-octoxybenzoate Traditional Name: 3-fluoro-4-octoxy-benzoic acid [4-(4-nonylphenyl)phenyl] ester Formula: C36H47FO3 MolecularWeight: 546.754983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCCCC)F

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCCCC)F

InChI

InChI=1S/C36H47FO3/c1-3-5-7-9-11-12-14-16-29-17-19-30(20-18-29)31-21-24-33(25-22-31)40-36(38)32-23-26-35(34(37)28-32)39-27-15-13-10-8-6-4-2/h17-26,28H,3-16,27H2,1-2H3