azane; 5-[(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)methyl]-3-chloranyl-2-oxidanyl-benzoic acid

Systemtic Name: azane; 5-[(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)methyl]-3-chloranyl-2-oxidanyl-benzoic acid Openeye Name: ammonia; 5-[(3-carboxy-5-chloro-4-hydroxy-phenyl)methyl]-3-chloro-2-hydroxy-benzoic acid CAS Name: ammonia; 5-[(3-carboxy-5-chloro-4-hydroxyphenyl)methyl]-3-chloro-2-hydroxybenzoic acid IUPAC Name: azane; 5-[(3-carboxy-5-chloro-4-hydroxyphenyl)methyl]-3-chloro-2-hydroxybenzoic acid Traditional Name: ammonia; 5-(3-carboxy-5-chloro-4-hydroxy-benzyl)-3-chloro-2-hydroxy-benzoic acid Formula: C15H13Cl2NO6 MolecularWeight: 374.17282

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)O)C(=O)O)CC2=CC(=C(C(=C2)C(=O)O)O)Cl.N

Isomeric SMILES

C1=C(C=C(C(=C1Cl)O)C(=O)O)CC2=CC(=C(C(=C2)C(=O)O)O)Cl.N

InChI

InChI=1S/C15H10Cl2O6.H3N/c16-10-4-6(2-8(12(10)18)14(20)21)1-7-3-9(15(22)23)13(19)11(17)5-7;/h2-5,18-19H,1H2,(H,20,21)(H,22,23);1H3