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

Systemtic Name: 2-bromanyl-4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]benzoic acid Openeye Name: 4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-2-bromo-benzoic acid CAS Name: 4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-2-bromobenzoic acid IUPAC Name: 4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-2-bromobenzoic acid Traditional Name: 4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-2-bromo-benzoic acid Formula: C19H19BrO5 MolecularWeight: 407.25516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC(=C(C=C2)C(=O)O)Br

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC(=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C19H19BrO5/c1-3-4-15-17(8-7-13(11(2)21)18(15)22)25-10-12-5-6-14(19(23)24)16(20)9-12/h5-9,22H,3-4,10H2,1-2H3,(H,23,24)