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

Systemtic Name: (4-octylphenyl) 3-chloranyl-4-(2-chloranyl-3-methyl-butanoyl)oxy-benzoate Openeye Name: (4-octylphenyl) 3-chloro-4-(2-chloro-3-methyl-butanoyl)oxy-benzoate CAS Name: 3-chloro-4-(2-chloro-3-methyl-1-oxobutoxy)benzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 3-chloro-4-(2-chloro-3-methylbutanoyl)oxybenzoate Traditional Name: 3-chloro-4-(2-chloro-3-methyl-butanoyl)oxy-benzoic acid (4-octylphenyl) ester Formula: C26H32Cl2O4 MolecularWeight: 479.43588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C(C(C)C)Cl)Cl

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C(C(C)C)Cl)Cl

InChI

InChI=1S/C26H32Cl2O4/c1-4-5-6-7-8-9-10-19-11-14-21(15-12-19)31-25(29)20-13-16-23(22(27)17-20)32-26(30)24(28)18(2)3/h11-18,24H,4-10H2,1-3H3