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

Systemtic Name: 2,3,5-tris(bromanyl)-4-[5-(2-bromanylphenoxy)-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxy-benzoic acid Openeye Name: 2,3,5-tribromo-4-[4-(2-bromophenoxy)-1-carboxy-butoxy]benzoic acid CAS Name: 2,3,5-tribromo-4-[5-(2-bromophenoxy)-1-hydroxy-1-oxopentan-2-yl]oxybenzoic acid IUPAC Name: 2,3,5-tribromo-4-[5-(2-bromophenoxy)-1-hydroxy-1-oxopentan-2-yl]oxybenzoic acid Traditional Name: 2,3,5-tribromo-4-[4-(2-bromophenoxy)-1-carboxy-butoxy]benzoic acid Formula: C18H14Br4O6 MolecularWeight: 645.91616

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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)Br)C(=O)O)Br)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H14Br4O6/c19-10-4-1-2-5-12(10)27-7-3-6-13(18(25)26)28-16-11(20)8-9(17(23)24)14(21)15(16)22/h1-2,4-5,8,13H,3,6-7H2,(H,23,24)(H,25,26)