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

Systemtic Name: 3-bromanyl-4-[5-(2-bromanylphenoxy)-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxy-benzoic acid Openeye Name: 3-bromo-4-[4-(2-bromophenoxy)-1-carboxy-butoxy]benzoic acid CAS Name: 3-bromo-4-[5-(2-bromophenoxy)-1-hydroxy-1-oxopentan-2-yl]oxybenzoic acid IUPAC Name: 3-bromo-4-[5-(2-bromophenoxy)-1-hydroxy-1-oxopentan-2-yl]oxybenzoic acid Traditional Name: 3-bromo-4-[4-(2-bromophenoxy)-1-carboxy-butoxy]benzoic acid Formula: C18H16Br2O6 MolecularWeight: 488.12404

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H16Br2O6/c19-12-4-1-2-5-14(12)25-9-3-6-16(18(23)24)26-15-8-7-11(17(21)22)10-13(15)20/h1-2,4-5,7-8,10,16H,3,6,9H2,(H,21,22)(H,23,24)