(4-octan-2-yloxycarbonylphenyl) 4-butanoyloxy-3-fluoranyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)CCC)F

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)CCC)F

InChI

InChI=1S/C26H31FO6/c1-4-6-7-8-10-18(3)31-25(29)19-11-14-21(15-12-19)32-26(30)20-13-16-23(22(27)17-20)33-24(28)9-5-2/h11-18H,4-10H2,1-3H3