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

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

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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)OCCC)F)F

Isomeric SMILES

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

InChI

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