4-[[3-(4-bromanyl-2-methyl-phenyl)phenoxy]methyl]phthalic acid

Systemtic Name: 4-[[3-(4-bromanyl-2-methyl-phenyl)phenoxy]methyl]phthalic acid Openeye Name: 4-[[3-(4-bromo-2-methyl-phenyl)phenoxy]methyl]phthalic acid CAS Name: 4-[[3-(4-bromo-2-methylphenyl)phenoxy]methyl]phthalic acid IUPAC Name: 4-[[3-(4-bromo-2-methylphenyl)phenoxy]methyl]phthalic acid Traditional Name: 4-[[3-(4-bromo-2-methyl-phenyl)phenoxy]methyl]phthalic acid Formula: C22H17BrO5 MolecularWeight: 441.27138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)C2=CC(=CC=C2)OCC3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)C2=CC(=CC=C2)OCC3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H17BrO5/c1-13-9-16(23)6-8-18(13)15-3-2-4-17(11-15)28-12-14-5-7-19(21(24)25)20(10-14)22(26)27/h2-11H,12H2,1H3,(H,24,25)(H,26,27)