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

Systemtic Name: azane; 3-(3-carboxy-4-oxidanyl-phenyl)carbonyl-5-[(3-carboxy-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid Openeye Name: ammonia; 3-(3-carboxy-4-hydroxy-benzoyl)-5-[(3-carboxy-4-hydroxy-phenyl)methyl]-2-hydroxy-benzoic acid CAS Name: ammonia; 5-[(3-carboxy-4-hydroxyphenyl)methyl]-3-[(3-carboxy-4-hydroxyphenyl)-oxomethyl]-2-hydroxybenzoic acid IUPAC Name: azane; 3-(3-carboxy-4-hydroxybenzoyl)-5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid Traditional Name: ammonia; 3-(3-carboxy-4-hydroxy-benzoyl)-5-(3-carboxy-4-hydroxy-benzyl)-2-hydroxy-benzoic acid Formula: C23H19NO10 MolecularWeight: 469.39766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2=CC(=C(C(=C2)C(=O)C3=CC(=C(C=C3)O)C(=O)O)O)C(=O)O)C(=O)O)O.N

Isomeric SMILES

C1=CC(=C(C=C1CC2=CC(=C(C(=C2)C(=O)C3=CC(=C(C=C3)O)C(=O)O)O)C(=O)O)C(=O)O)O.N

InChI

InChI=1S/C23H16O10.H3N/c24-17-3-1-10(6-13(17)21(28)29)5-11-7-15(20(27)16(8-11)23(32)33)19(26)12-2-4-18(25)14(9-12)22(30)31;/h1-4,6-9,24-25,27H,5H2,(H,28,29)(H,30,31)(H,32,33);1H3