(4-pentoxyphenyl) 4-(3-fluoranyl-4-octoxy-phenyl)benzoate

Systemtic Name: (4-pentoxyphenyl) 4-(3-fluoranyl-4-octoxy-phenyl)benzoate Openeye Name: (4-pentoxyphenyl) 4-(3-fluoro-4-octoxy-phenyl)benzoate CAS Name: 4-(3-fluoro-4-octoxyphenyl)benzoic acid (4-pentoxyphenyl) ester IUPAC Name: (4-pentoxyphenyl) 4-(3-fluoro-4-octoxyphenyl)benzoate Traditional Name: 4-(3-fluoro-4-octoxy-phenyl)benzoic acid (4-amoxyphenyl) ester Formula: C32H39FO4 MolecularWeight: 506.648063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCC)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCC)F

InChI

InChI=1S/C32H39FO4/c1-3-5-7-8-9-11-23-36-31-21-16-27(24-30(31)33)25-12-14-26(15-13-25)32(34)37-29-19-17-28(18-20-29)35-22-10-6-4-2/h12-21,24H,3-11,22-23H2,1-2H3