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

Systemtic Name: (4-propylphenyl) 2,3-bis(fluoranyl)-4-(4-pentoxyphenyl)benzoate Openeye Name: (4-propylphenyl) 2,3-difluoro-4-(4-pentoxyphenyl)benzoate CAS Name: 2,3-difluoro-4-(4-pentoxyphenyl)benzoic acid (4-propylphenyl) ester IUPAC Name: (4-propylphenyl) 2,3-difluoro-4-(4-pentoxyphenyl)benzoate Traditional Name: 4-(4-amoxyphenyl)-2,3-difluoro-benzoic acid (4-propylphenyl) ester Formula: C27H28F2O3 MolecularWeight: 438.506226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC)F)F

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC)F)F

InChI

InChI=1S/C27H28F2O3/c1-3-5-6-18-31-21-14-10-20(11-15-21)23-16-17-24(26(29)25(23)28)27(30)32-22-12-8-19(7-4-2)9-13-22/h8-17H,3-7,18H2,1-2H3