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

Systemtic Name: [4-(4-hexylphenyl)phenyl] 3-fluoranyl-4-octoxy-benzoate Openeye Name: [4-(4-hexylphenyl)phenyl] 3-fluoro-4-octoxy-benzoate CAS Name: 3-fluoro-4-octoxybenzoic acid [4-(4-hexylphenyl)phenyl] ester IUPAC Name: [4-(4-hexylphenyl)phenyl] 3-fluoro-4-octoxybenzoate Traditional Name: 3-fluoro-4-octoxy-benzoic acid [4-(4-hexylphenyl)phenyl] ester Formula: C33H41FO3 MolecularWeight: 504.675243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCCCCC)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCCCCC)F

InChI

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