3-bromanyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]benzoic acid

Systemtic Name: 3-bromanyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]benzoic acid Openeye Name: 4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-3-bromo-benzoic acid CAS Name: 4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-3-bromobenzoic acid IUPAC Name: 4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-3-bromobenzoic acid Traditional Name: 4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-3-bromo-benzoic acid Formula: C21H23BrO6 MolecularWeight: 451.30772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C=C(C=C2)C(=O)O)Br

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C21H23BrO6/c1-3-5-16-18(9-7-15(13(2)23)20(16)24)27-10-4-11-28-19-8-6-14(21(25)26)12-17(19)22/h6-9,12,24H,3-5,10-11H2,1-2H3,(H,25,26)