(4-pentylphenyl) 3-fluoranyl-4-(4-heptoxyphenyl)benzoate

Systemtic Name: (4-pentylphenyl) 3-fluoranyl-4-(4-heptoxyphenyl)benzoate Openeye Name: (4-pentylphenyl) 3-fluoro-4-(4-heptoxyphenyl)benzoate CAS Name: 3-fluoro-4-(4-heptoxyphenyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 3-fluoro-4-(4-heptoxyphenyl)benzoate Traditional Name: 3-fluoro-4-(4-heptoxyphenyl)benzoic acid (4-amylphenyl) ester Formula: C31H37FO3 MolecularWeight: 476.622083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)F

InChI

InChI=1S/C31H37FO3/c1-3-5-7-8-10-22-34-27-19-14-25(15-20-27)29-21-16-26(23-30(29)32)31(33)35-28-17-12-24(13-18-28)11-9-6-4-2/h12-21,23H,3-11,22H2,1-2H3