3,5-bis(bromanyl)-4-[5-(2-bromanylphenoxy)-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxy-benzoic acid

Systemtic Name: 3,5-bis(bromanyl)-4-[5-(2-bromanylphenoxy)-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxy-benzoic acid Openeye Name: 3,5-dibromo-4-[4-(2-bromophenoxy)-1-carboxy-butoxy]benzoic acid CAS Name: 3,5-dibromo-4-[5-(2-bromophenoxy)-1-hydroxy-1-oxopentan-2-yl]oxybenzoic acid IUPAC Name: 3,5-dibromo-4-[5-(2-bromophenoxy)-1-hydroxy-1-oxopentan-2-yl]oxybenzoic acid Traditional Name: 3,5-dibromo-4-[4-(2-bromophenoxy)-1-carboxy-butoxy]benzoic acid Formula: C18H15Br3O6 MolecularWeight: 567.0201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCCCC(C(=O)O)OC2=C(C=C(C=C2Br)C(=O)O)Br)Br

Isomeric SMILES

C1=CC=C(C(=C1)OCCCC(C(=O)O)OC2=C(C=C(C=C2Br)C(=O)O)Br)Br

InChI

InChI=1S/C18H15Br3O6/c19-11-4-1-2-5-14(11)26-7-3-6-15(18(24)25)27-16-12(20)8-10(17(22)23)9-13(16)21/h1-2,4-5,8-9,15H,3,6-7H2,(H,22,23)(H,24,25)