(4-octoxyphenyl) 3-chloranyl-4-(2-chloranyl-3-methyl-butanoyl)oxy-benzoate

Systemtic Name: (4-octoxyphenyl) 3-chloranyl-4-(2-chloranyl-3-methyl-butanoyl)oxy-benzoate Openeye Name: (4-octoxyphenyl) 3-chloro-4-(2-chloro-3-methyl-butanoyl)oxy-benzoate CAS Name: 3-chloro-4-(2-chloro-3-methyl-1-oxobutoxy)benzoic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 3-chloro-4-(2-chloro-3-methylbutanoyl)oxybenzoate Traditional Name: 3-chloro-4-(2-chloro-3-methyl-butanoyl)oxy-benzoic acid (4-octoxyphenyl) ester Formula: C26H32Cl2O5 MolecularWeight: 495.43528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C(C(C)C)Cl)Cl

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C(C(C)C)Cl)Cl

InChI

InChI=1S/C26H32Cl2O5/c1-4-5-6-7-8-9-16-31-20-11-13-21(14-12-20)32-25(29)19-10-15-23(22(27)17-19)33-26(30)24(28)18(2)3/h10-15,17-18,24H,4-9,16H2,1-3H3