3-bromanyl-4-(1-oxidanyl-1-oxidanylidene-5-phenoxy-pentan-2-yl)oxy-benzoic acid

Systemtic Name: 3-bromanyl-4-(1-oxidanyl-1-oxidanylidene-5-phenoxy-pentan-2-yl)oxy-benzoic acid Openeye Name: 3-bromo-4-(1-carboxy-4-phenoxy-butoxy)benzoic acid CAS Name: 3-bromo-4-(1-hydroxy-1-oxo-5-phenoxypentan-2-yl)oxybenzoic acid IUPAC Name: 3-bromo-4-(1-hydroxy-1-oxo-5-phenoxypentan-2-yl)oxybenzoic acid Traditional Name: 3-bromo-4-(1-carboxy-4-phenoxy-butoxy)benzoic acid Formula: C18H17BrO6 MolecularWeight: 409.22798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCC(C(=O)O)OC2=C(C=C(C=C2)C(=O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)OCCCC(C(=O)O)OC2=C(C=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C18H17BrO6/c19-14-11-12(17(20)21)8-9-15(14)25-16(18(22)23)7-4-10-24-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,20,21)(H,22,23)