4-(4-chloranyl-2-ethyl-phenyl)-3-methyl-butanoic acid

Systemtic Name: 4-(4-chloranyl-2-ethyl-phenyl)-3-methyl-butanoic acid Openeye Name: 4-(4-chloro-2-ethyl-phenyl)-3-methyl-butanoic acid CAS Name: 4-(4-chloro-2-ethylphenyl)-3-methylbutanoic acid IUPAC Name: 4-(4-chloro-2-ethylphenyl)-3-methylbutanoic acid Traditional Name: 4-(4-chloro-2-ethyl-phenyl)-3-methyl-butyric acid Formula: C13H17ClO2 MolecularWeight: 240.72588

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Cl)CC(C)CC(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)Cl)CC(C)CC(=O)O

InChI

InChI=1S/C13H17ClO2/c1-3-10-8-12(14)5-4-11(10)6-9(2)7-13(15)16/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,16)