4-(2-bromanyl-4,5-dimethoxy-phenyl)pentanoic acid

Systemtic Name: 4-(2-bromanyl-4,5-dimethoxy-phenyl)pentanoic acid Openeye Name: 4-(2-bromo-4,5-dimethoxy-phenyl)pentanoic acid CAS Name: 4-(2-bromo-4,5-dimethoxyphenyl)pentanoic acid IUPAC Name: 4-(2-bromo-4,5-dimethoxyphenyl)pentanoic acid Traditional Name: 4-(2-bromo-4,5-dimethoxy-phenyl)valeric acid Formula: C13H17BrO4 MolecularWeight: 317.17568

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)C1=CC(=C(C=C1Br)OC)OC

Isomeric SMILES

CC(CCC(=O)O)C1=CC(=C(C=C1Br)OC)OC

InChI

InChI=1S/C13H17BrO4/c1-8(4-5-13(15)16)9-6-11(17-2)12(18-3)7-10(9)14/h6-8H,4-5H2,1-3H3,(H,15,16)