4-(2-bromanyl-5-methoxy-phenyl)-3,3-dimethyl-butanoic acid

Systemtic Name: 4-(2-bromanyl-5-methoxy-phenyl)-3,3-dimethyl-butanoic acid Openeye Name: 4-(2-bromo-5-methoxy-phenyl)-3,3-dimethyl-butanoic acid CAS Name: 4-(2-bromo-5-methoxyphenyl)-3,3-dimethylbutanoic acid IUPAC Name: 4-(2-bromo-5-methoxyphenyl)-3,3-dimethylbutanoic acid Traditional Name: 4-(2-bromo-5-methoxy-phenyl)-3,3-dimethyl-butyric acid Formula: C13H17BrO3 MolecularWeight: 301.17628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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