[4-(4-ethylhexan-2-yloxycarbonyl)phenyl] 4-butanoyloxy-3-fluoranyl-benzoate

Systemtic Name: [4-(4-ethylhexan-2-yloxycarbonyl)phenyl] 4-butanoyloxy-3-fluoranyl-benzoate Openeye Name: [4-(3-ethyl-1-methyl-pentoxy)carbonylphenyl] 4-butanoyloxy-3-fluoro-benzoate CAS Name: 3-fluoro-4-(1-oxobutoxy)benzoic acid [4-[4-ethylhexan-2-yloxy(oxo)methyl]phenyl] ester IUPAC Name: [4-(4-ethylhexan-2-yloxycarbonyl)phenyl] 4-butanoyloxy-3-fluorobenzoate Traditional Name: 4-butyryloxy-3-fluoro-benzoic acid [4-(3-ethyl-1-methyl-pentoxy)carbonylphenyl] ester Formula: C26H31FO6 MolecularWeight: 458.519143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(=O)OC1=C(C=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)33-23-14-11-20(16-22(23)27)26(30)32-21-12-9-19(10-13-21)25(29)31-17(4)15-18(6-2)7-3/h9-14,16-18H,5-8,15H2,1-4H3