azane; 5-[4-bromanyl-1-(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)but-1-enyl]-3-chloranyl-2-oxidanyl-benzoic acid

Systemtic Name: azane; 5-[4-bromanyl-1-(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)but-1-enyl]-3-chloranyl-2-oxidanyl-benzoic acid Openeye Name: ammonia; 5-[4-bromo-1-(3-carboxy-5-chloro-4-hydroxy-phenyl)but-1-enyl]-3-chloro-2-hydroxy-benzoic acid CAS Name: ammonia; 5-[4-bromo-1-(3-carboxy-5-chloro-4-hydroxyphenyl)but-1-enyl]-3-chloro-2-hydroxybenzoic acid IUPAC Name: azane; 5-[4-bromo-1-(3-carboxy-5-chloro-4-hydroxyphenyl)but-1-enyl]-3-chloro-2-hydroxybenzoic acid Traditional Name: ammonia; 5-[4-bromo-1-(3-carboxy-5-chloro-4-hydroxy-phenyl)but-1-enyl]-3-chloro-2-hydroxy-benzoic acid Formula: C18H16BrCl2NO6 MolecularWeight: 493.13274

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1C(=O)O)O)Cl)C(=CCCBr)C2=CC(=C(C(=C2)Cl)O)C(=O)O.N

Isomeric SMILES

C1=C(C=C(C(=C1C(=O)O)O)Cl)C(=CCCBr)C2=CC(=C(C(=C2)Cl)O)C(=O)O.N

InChI

InChI=1S/C18H13BrCl2O6.H3N/c19-3-1-2-10(8-4-11(17(24)25)15(22)13(20)6-8)9-5-12(18(26)27)16(23)14(21)7-9;/h2,4-7,22-23H,1,3H2,(H,24,25)(H,26,27);1H3