3-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)propanoic acid

Systemtic Name: 3-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)propanoic acid Openeye Name: 3-(4-bromo-2-isopropyl-5-methyl-phenoxy)propanoic acid CAS Name: 3-(4-bromo-5-methyl-2-propan-2-ylphenoxy)propanoic acid IUPAC Name: 3-(4-bromo-5-methyl-2-propan-2-ylphenoxy)propanoic acid Traditional Name: 3-(4-bromo-2-isopropyl-5-methyl-phenoxy)propionic acid Formula: C13H17BrO3 MolecularWeight: 301.17628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCCC(=O)O

InChI

InChI=1S/C13H17BrO3/c1-8(2)10-7-11(14)9(3)6-12(10)17-5-4-13(15)16/h6-8H,4-5H2,1-3H3,(H,15,16)