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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCCCC(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCCCC(=O)O)Br)OC

InChI

InChI=1S/C13H17BrO4/c1-17-11-7-9(5-3-4-6-13(15)16)10(14)8-12(11)18-2/h7-8H,3-6H2,1-2H3,(H,15,16)