diazanium 3-bromanyl-5-[1-(3-bromanyl-5-carboxylato-4-oxidanyl-phenyl)hept-1-enyl]-2-oxidanyl-benzoate

Systemtic Name: diazanium 3-bromanyl-5-[1-(3-bromanyl-5-carboxylato-4-oxidanyl-phenyl)hept-1-enyl]-2-oxidanyl-benzoate Openeye Name: diammonium 3-bromo-5-[1-(3-bromo-5-carboxylato-4-hydroxy-phenyl)hept-1-enyl]-2-hydroxy-benzoate CAS Name: diammonium 3-bromo-5-[1-(3-bromo-5-carboxylato-4-hydroxyphenyl)hept-1-enyl]-2-hydroxybenzoate IUPAC Name: diazanium 3-bromo-5-[1-(3-bromo-5-carboxylato-4-hydroxyphenyl)hept-1-enyl]-2-hydroxybenzoate Traditional Name: diammonium 3-bromo-5-[1-(3-bromo-5-carboxylato-4-hydroxy-phenyl)hept-1-enyl]-2-hydroxy-benzoate Formula: C21H26Br2N2O6 MolecularWeight: 562.24894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20Br2O6.2H3N/c1-2-3-4-5-6-13(11-7-14(20(26)27)18(24)16(22)9-11)12-8-15(21(28)29)19(25)17(23)10-12;;/h6-10,24-25H,2-5H2,1H3,(H,26,27)(H,28,29);2*1H3