(4-pentylphenyl) 2,3-bis(fluoranyl)-4-(4-pentoxyphenyl)benzoate

Systemtic Name: (4-pentylphenyl) 2,3-bis(fluoranyl)-4-(4-pentoxyphenyl)benzoate Openeye Name: (4-pentylphenyl) 2,3-difluoro-4-(4-pentoxyphenyl)benzoate CAS Name: 2,3-difluoro-4-(4-pentoxyphenyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 2,3-difluoro-4-(4-pentoxyphenyl)benzoate Traditional Name: 4-(4-amoxyphenyl)-2,3-difluoro-benzoic acid (4-amylphenyl) ester Formula: C29H32F2O3 MolecularWeight: 466.559386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=CC=C(C=C3)OCCCCC)F)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=CC=C(C=C3)OCCCCC)F)F

InChI

InChI=1S/C29H32F2O3/c1-3-5-7-9-21-10-14-24(15-11-21)34-29(32)26-19-18-25(27(30)28(26)31)22-12-16-23(17-13-22)33-20-8-6-4-2/h10-19H,3-9,20H2,1-2H3