diazanium 3-bromanyl-5-[6-(3-bromanyl-5-carboxylato-phenyl)carbonyloxyhexoxycarbonyl]benzoate

Systemtic Name: diazanium 3-bromanyl-5-[6-(3-bromanyl-5-carboxylato-phenyl)carbonyloxyhexoxycarbonyl]benzoate Openeye Name: diammonium 3-bromo-5-[6-(3-bromo-5-carboxylato-benzoyl)oxyhexoxycarbonyl]benzoate CAS Name: diammonium 3-bromo-5-[6-[(3-bromo-5-carboxylatophenyl)-oxomethoxy]hexoxy-oxomethyl]benzoate IUPAC Name: diazanium 3-bromo-5-[6-(3-bromo-5-carboxylatobenzoyl)oxyhexoxycarbonyl]benzoate Traditional Name: diammonium 3-bromo-5-[6-(3-bromo-5-carboxylato-benzoyl)oxyhexoxycarbonyl]benzoate Formula: C22H26Br2N2O8 MolecularWeight: 606.25844

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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-].[NH4+].[NH4+]

Isomeric SMILES

C1=C(C=C(C=C1C(=O)OCCCCCCOC(=O)C2=CC(=CC(=C2)C(=O)[O-])Br)Br)C(=O)[O-].[NH4+].[NH4+]

InChI

InChI=1S/C22H20Br2O8.2H3N/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);2*1H3