4-(4-bromanyl-3-methyl-phenoxy)-3,3-dimethyl-butanoic acid

Systemtic Name: 4-(4-bromanyl-3-methyl-phenoxy)-3,3-dimethyl-butanoic acid Openeye Name: 4-(4-bromo-3-methyl-phenoxy)-3,3-dimethyl-butanoic acid CAS Name: 4-(4-bromo-3-methylphenoxy)-3,3-dimethylbutanoic acid IUPAC Name: 4-(4-bromo-3-methylphenoxy)-3,3-dimethylbutanoic acid Traditional Name: 4-(4-bromo-3-methyl-phenoxy)-3,3-dimethyl-butyric acid Formula: C13H17BrO3 MolecularWeight: 301.17628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C)(C)CC(=O)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(C)(C)CC(=O)O)Br

InChI

InChI=1S/C13H17BrO3/c1-9-6-10(4-5-11(9)14)17-8-13(2,3)7-12(15)16/h4-6H,7-8H2,1-3H3,(H,15,16)