(4-nonoxyphenyl) 4-(3-fluoranyl-4-pentyl-phenyl)benzoate

Systemtic Name: (4-nonoxyphenyl) 4-(3-fluoranyl-4-pentyl-phenyl)benzoate Openeye Name: (4-nonoxyphenyl) 4-(3-fluoro-4-pentyl-phenyl)benzoate CAS Name: 4-(3-fluoro-4-pentylphenyl)benzoic acid (4-nonoxyphenyl) ester IUPAC Name: (4-nonoxyphenyl) 4-(3-fluoro-4-pentylphenyl)benzoate Traditional Name: 4-(4-amyl-3-fluoro-phenyl)benzoic acid (4-nonoxyphenyl) ester Formula: C33H41FO3 MolecularWeight: 504.675243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)CCCCC)F

InChI

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