4-cyano-4-(3,4-dichlorophenyl)-5-methyl-hexanoic acid

Systemtic Name: 4-cyano-4-(3,4-dichlorophenyl)-5-methyl-hexanoic acid Openeye Name: 4-cyano-4-(3,4-dichlorophenyl)-5-methyl-hexanoic acid CAS Name: 4-cyano-4-(3,4-dichlorophenyl)-5-methylhexanoic acid IUPAC Name: 4-cyano-4-(3,4-dichlorophenyl)-5-methylhexanoic acid Traditional Name: 4-cyano-4-(3,4-dichlorophenyl)-5-methyl-hexanoic acid Formula: C14H15Cl2NO2 MolecularWeight: 300.1804

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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

Isomeric SMILES

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

InChI

InChI=1S/C14H15Cl2NO2/c1-9(2)14(8-17,6-5-13(18)19)10-3-4-11(15)12(16)7-10/h3-4,7,9H,5-6H2,1-2H3,(H,18,19)