(3,3,5-trimethylcyclohexyl) 2-(4-chloranylphenoxy)-2-methyl-butanoate

Systemtic Name: (3,3,5-trimethylcyclohexyl) 2-(4-chloranylphenoxy)-2-methyl-butanoate Openeye Name: (3,3,5-trimethylcyclohexyl) 2-(4-chlorophenoxy)-2-methyl-butanoate CAS Name: 2-(4-chlorophenoxy)-2-methylbutanoic acid (3,3,5-trimethylcyclohexyl) ester IUPAC Name: (3,3,5-trimethylcyclohexyl) 2-(4-chlorophenoxy)-2-methylbutanoate Traditional Name: 2-(4-chlorophenoxy)-2-methyl-butyric acid (3,3,5-trimethylcyclohexyl) ester Formula: C20H29ClO3 MolecularWeight: 352.89546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)OC1CC(CC(C1)(C)C)C)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(C)(C(=O)OC1CC(CC(C1)(C)C)C)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H29ClO3/c1-6-20(5,24-16-9-7-15(21)8-10-16)18(22)23-17-11-14(2)12-19(3,4)13-17/h7-10,14,17H,6,11-13H2,1-5H3