2-bromanyl-4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-5-methoxy-benzoic acid

Systemtic Name: 2-bromanyl-4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-5-methoxy-benzoic acid Openeye Name: 4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-2-bromo-5-methoxy-benzoic acid CAS Name: 4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-2-bromo-5-methoxybenzoic acid IUPAC Name: 4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-2-bromo-5-methoxybenzoic acid Traditional Name: 4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-2-bromo-5-methoxy-benzoic acid Formula: C20H21BrO6 MolecularWeight: 437.28114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrO6/c1-4-5-14-17(7-6-13(11(2)22)19(14)23)27-10-12-8-16(21)15(20(24)25)9-18(12)26-3/h6-9,23H,4-5,10H2,1-3H3,(H,24,25)