4-ethylhexan-2-yl 4-(4-butanoyloxyphenyl)carbonyloxy-2-fluoranyl-benzoate

Systemtic Name: 4-ethylhexan-2-yl 4-(4-butanoyloxyphenyl)carbonyloxy-2-fluoranyl-benzoate Openeye Name: (3-ethyl-1-methyl-pentyl) 4-(4-butanoyloxybenzoyl)oxy-2-fluoro-benzoate CAS Name: 2-fluoro-4-[oxo-[4-(1-oxobutoxy)phenyl]methoxy]benzoic acid 4-ethylhexan-2-yl ester IUPAC Name: 4-ethylhexan-2-yl 4-(4-butanoyloxybenzoyl)oxy-2-fluorobenzoate Traditional Name: 4-(4-butyryloxybenzoyl)oxy-2-fluoro-benzoic acid (3-ethyl-1-methyl-pentyl) ester Formula: C26H31FO6 MolecularWeight: 458.519143

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C(=O)OC(C)CC(CC)CC)F

Isomeric SMILES

CCCC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C(=O)OC(C)CC(CC)CC)F

InChI

InChI=1S/C26H31FO6/c1-5-8-24(28)32-20-11-9-19(10-12-20)25(29)33-21-13-14-22(23(27)16-21)26(30)31-17(4)15-18(6-2)7-3/h9-14,16-18H,5-8,15H2,1-4H3