4-cyano-5-methyl-4-[3,4,5-tris(chloranyl)phenyl]hexanoic acid

Systemtic Name: 4-cyano-5-methyl-4-[3,4,5-tris(chloranyl)phenyl]hexanoic acid Openeye Name: 4-cyano-5-methyl-4-(3,4,5-trichlorophenyl)hexanoic acid CAS Name: 4-cyano-5-methyl-4-(3,4,5-trichlorophenyl)hexanoic acid IUPAC Name: 4-cyano-5-methyl-4-(3,4,5-trichlorophenyl)hexanoic acid Traditional Name: 4-cyano-5-methyl-4-(3,4,5-trichlorophenyl)hexanoic acid Formula: C14H14Cl3NO2 MolecularWeight: 334.62546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(=O)O)(C#N)C1=CC(=C(C(=C1)Cl)Cl)Cl

Isomeric SMILES

CC(C)C(CCC(=O)O)(C#N)C1=CC(=C(C(=C1)Cl)Cl)Cl

InChI

InChI=1S/C14H14Cl3NO2/c1-8(2)14(7-18,4-3-12(19)20)9-5-10(15)13(17)11(16)6-9/h5-6,8H,3-4H2,1-2H3,(H,19,20)