azane; 5-(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)carbonyl-3-chloranyl-2-oxidanyl-benzoic acid

Systemtic Name: azane; 5-(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)carbonyl-3-chloranyl-2-oxidanyl-benzoic acid Openeye Name: ammonia; 5-(3-carboxy-5-chloro-4-hydroxy-benzoyl)-3-chloro-2-hydroxy-benzoic acid CAS Name: ammonia; 5-[(3-carboxy-5-chloro-4-hydroxyphenyl)-oxomethyl]-3-chloro-2-hydroxybenzoic acid IUPAC Name: azane; 5-(3-carboxy-5-chloro-4-hydroxybenzoyl)-3-chloro-2-hydroxybenzoic acid Traditional Name: ammonia; 5-(3-carboxy-5-chloro-4-hydroxy-benzoyl)-3-chloro-2-hydroxy-benzoic acid Formula: C15H11Cl2NO7 MolecularWeight: 388.15634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H8Cl2O7.H3N/c16-9-3-5(1-7(12(9)19)14(21)22)11(18)6-2-8(15(23)24)13(20)10(17)4-6;/h1-4,19-20H,(H,21,22)(H,23,24);1H3