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

Systemtic Name: (4-heptylphenyl) 2,3-bis(fluoranyl)-4-(4-pentoxyphenyl)benzoate Openeye Name: (4-heptylphenyl) 2,3-difluoro-4-(4-pentoxyphenyl)benzoate CAS Name: 2,3-difluoro-4-(4-pentoxyphenyl)benzoic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 2,3-difluoro-4-(4-pentoxyphenyl)benzoate Traditional Name: 4-(4-amoxyphenyl)-2,3-difluoro-benzoic acid (4-heptylphenyl) ester Formula: C31H36F2O3 MolecularWeight: 494.612546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=CC=C(C=C3)OCCCCC)F)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=CC=C(C=C3)OCCCCC)F)F

InChI

InChI=1S/C31H36F2O3/c1-3-5-7-8-9-11-23-12-16-26(17-13-23)36-31(34)28-21-20-27(29(32)30(28)33)24-14-18-25(19-15-24)35-22-10-6-4-2/h12-21H,3-11,22H2,1-2H3