4-[5-[2,6-bis(bromanyl)phenoxy]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxy-2,3,5-tris(bromanyl)benzoic acid

Systemtic Name: 4-[5-[2,6-bis(bromanyl)phenoxy]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxy-2,3,5-tris(bromanyl)benzoic acid Openeye Name: 2,3,5-tribromo-4-[1-carboxy-4-(2,6-dibromophenoxy)butoxy]benzoic acid CAS Name: 2,3,5-tribromo-4-[5-(2,6-dibromophenoxy)-1-hydroxy-1-oxopentan-2-yl]oxybenzoic acid IUPAC Name: 2,3,5-tribromo-4-[5-(2,6-dibromophenoxy)-1-hydroxy-1-oxopentan-2-yl]oxybenzoic acid Traditional Name: 2,3,5-tribromo-4-[1-carboxy-4-(2,6-dibromophenoxy)butoxy]benzoic acid Formula: C18H13Br5O6 MolecularWeight: 724.81222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13Br5O6/c19-9-3-1-4-10(20)15(9)28-6-2-5-12(18(26)27)29-16-11(21)7-8(17(24)25)13(22)14(16)23/h1,3-4,7,12H,2,5-6H2,(H,24,25)(H,26,27)