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

Systemtic Name: azane; 5-[bis(3-carboxy-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid Openeye Name: ammonia; 5-[bis(3-carboxy-4-hydroxy-phenyl)methyl]-2-hydroxy-benzoic acid CAS Name: ammonia; 5-[bis(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid IUPAC Name: azane; 5-[bis(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid Traditional Name: ammonia; 5-[bis(3-carboxy-4-hydroxy-phenyl)methyl]-2-hydroxy-benzoic acid Formula: C22H19NO9 MolecularWeight: 441.38756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(C2=CC(=C(C=C2)O)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O)O.N

Isomeric SMILES

C1=CC(=C(C=C1C(C2=CC(=C(C=C2)O)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O)O.N

InChI

InChI=1S/C22H16O9.H3N/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31;/h1-9,19,23-25H,(H,26,27)(H,28,29)(H,30,31);1H3