3-bromanyl-5-[6-(3-bromanyl-5-carboxy-phenyl)carbonyloxyhexoxycarbonyl]benzoic acid

Systemtic Name: 3-bromanyl-5-[6-(3-bromanyl-5-carboxy-phenyl)carbonyloxyhexoxycarbonyl]benzoic acid Openeye Name: 3-bromo-5-[6-(3-bromo-5-carboxy-benzoyl)oxyhexoxycarbonyl]benzoic acid CAS Name: 3-bromo-5-[6-[(3-bromo-5-carboxyphenyl)-oxomethoxy]hexoxy-oxomethyl]benzoic acid IUPAC Name: 3-bromo-5-[6-(3-bromo-5-carboxybenzoyl)oxyhexoxycarbonyl]benzoic acid Traditional Name: 3-bromo-5-[6-(3-bromo-5-carboxy-benzoyl)oxyhexoxycarbonyl]benzoic acid Formula: C22H20Br2O8 MolecularWeight: 572.1974

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)OCCCCCCOC(=O)C2=CC(=CC(=C2)C(=O)O)Br)Br)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(=O)OCCCCCCOC(=O)C2=CC(=CC(=C2)C(=O)O)Br)Br)C(=O)O

InChI

InChI=1S/C22H20Br2O8/c23-17-9-13(19(25)26)7-15(11-17)21(29)31-5-3-1-2-4-6-32-22(30)16-8-14(20(27)28)10-18(24)12-16/h7-12H,1-6H2,(H,25,26)(H,27,28)