4-ethylhexan-2-yl 2-fluoranyl-4-[4-(4-propylphenyl)phenyl]carbonyloxy-benzoate

Systemtic Name: 4-ethylhexan-2-yl 2-fluoranyl-4-[4-(4-propylphenyl)phenyl]carbonyloxy-benzoate Openeye Name: (3-ethyl-1-methyl-pentyl) 2-fluoro-4-[4-(4-propylphenyl)benzoyl]oxy-benzoate CAS Name: 2-fluoro-4-[oxo-[4-(4-propylphenyl)phenyl]methoxy]benzoic acid 4-ethylhexan-2-yl ester IUPAC Name: 4-ethylhexan-2-yl 2-fluoro-4-[4-(4-propylphenyl)benzoyl]oxybenzoate Traditional Name: 2-fluoro-4-[4-(4-propylphenyl)benzoyl]oxy-benzoic acid (3-ethyl-1-methyl-pentyl) ester Formula: C31H35FO4 MolecularWeight: 490.605603

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C(=O)OC(C)CC(CC)CC)F

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C(=O)OC(C)CC(CC)CC)F

InChI

InChI=1S/C31H35FO4/c1-5-8-23-9-11-24(12-10-23)25-13-15-26(16-14-25)30(33)36-27-17-18-28(29(32)20-27)31(34)35-21(4)19-22(6-2)7-3/h9-18,20-22H,5-8,19H2,1-4H3