2-(2-bromanyl-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-5-butoxy-benzoic acid

Systemtic Name: 2-(2-bromanyl-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-5-butoxy-benzoic acid Openeye Name: 2-(1-benzyl-1-bromo-2-hydroxy-2-oxo-ethyl)-5-butoxy-benzoic acid CAS Name: 2-(2-bromo-1-hydroxy-1-oxo-3-phenylpropan-2-yl)-5-butoxybenzoic acid IUPAC Name: 2-(2-bromo-1-hydroxy-1-oxo-3-phenylpropan-2-yl)-5-butoxybenzoic acid Traditional Name: 2-(1-benzyl-1-bromo-2-hydroxy-2-keto-ethyl)-5-butoxy-benzoic acid Formula: C20H21BrO5 MolecularWeight: 421.28174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)C(CC2=CC=CC=C2)(C(=O)O)Br)C(=O)O

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)C(CC2=CC=CC=C2)(C(=O)O)Br)C(=O)O

InChI

InChI=1S/C20H21BrO5/c1-2-3-11-26-15-9-10-17(16(12-15)18(22)23)20(21,19(24)25)13-14-7-5-4-6-8-14/h4-10,12H,2-3,11,13H2,1H3,(H,22,23)(H,24,25)