(4-hexoxyphenyl) 4-(2-chloranyl-3-methyl-butanoyl)oxy-3-fluoranyl-benzoate

Systemtic Name: (4-hexoxyphenyl) 4-(2-chloranyl-3-methyl-butanoyl)oxy-3-fluoranyl-benzoate Openeye Name: (4-hexoxyphenyl) 4-(2-chloro-3-methyl-butanoyl)oxy-3-fluoro-benzoate CAS Name: 4-(2-chloro-3-methyl-1-oxobutoxy)-3-fluorobenzoic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 4-(2-chloro-3-methylbutanoyl)oxy-3-fluorobenzoate Traditional Name: 4-(2-chloro-3-methyl-butanoyl)oxy-3-fluoro-benzoic acid (4-hexoxyphenyl) ester Formula: C24H28ClFO5 MolecularWeight: 450.927523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C(C(C)C)Cl)F

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C(C(C)C)Cl)F

InChI

InChI=1S/C24H28ClFO5/c1-4-5-6-7-14-29-18-9-11-19(12-10-18)30-23(27)17-8-13-21(20(26)15-17)31-24(28)22(25)16(2)3/h8-13,15-16,22H,4-7,14H2,1-3H3