azane; 5-bromanyl-3-[1-(5-bromanyl-3-carboxy-2-oxidanyl-phenyl)hept-1-enyl]-2-oxidanyl-benzoic acid

Systemtic Name: azane; 5-bromanyl-3-[1-(5-bromanyl-3-carboxy-2-oxidanyl-phenyl)hept-1-enyl]-2-oxidanyl-benzoic acid Openeye Name: ammonia; 5-bromo-3-[1-(5-bromo-3-carboxy-2-hydroxy-phenyl)hept-1-enyl]-2-hydroxy-benzoic acid CAS Name: ammonia; 5-bromo-3-[1-(5-bromo-3-carboxy-2-hydroxyphenyl)hept-1-enyl]-2-hydroxybenzoic acid IUPAC Name: azane; 5-bromo-3-[1-(5-bromo-3-carboxy-2-hydroxyphenyl)hept-1-enyl]-2-hydroxybenzoic acid Traditional Name: ammonia; 5-bromo-3-[1-(5-bromo-3-carboxy-2-hydroxy-phenyl)hept-1-enyl]-2-hydroxy-benzoic acid Formula: C21H23Br2NO6 MolecularWeight: 545.21842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=C(C1=CC(=CC(=C1O)C(=O)O)Br)C2=CC(=CC(=C2O)C(=O)O)Br.N

Isomeric SMILES

CCCCCC=C(C1=CC(=CC(=C1O)C(=O)O)Br)C2=CC(=CC(=C2O)C(=O)O)Br.N

InChI

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