triazanium 5-[(3-carboxylato-4-oxidanylidene-cyclohexylidene)-(3-carboxylato-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoate

Systemtic Name: triazanium 5-[(3-carboxylato-4-oxidanylidene-cyclohexylidene)-(3-carboxylato-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoate Openeye Name: triammonium 5-[(3-carboxylato-4-hydroxy-phenyl)-(3-carboxylato-4-oxo-cyclohexylidene)methyl]-2-hydroxy-benzoate CAS Name: triammonium 5-[(3-carboxylato-4-hydroxyphenyl)-(3-carboxylato-4-oxocyclohexylidene)methyl]-2-hydroxybenzoate IUPAC Name: triazanium 5-[(3-carboxylato-4-hydroxyphenyl)-(3-carboxylato-4-oxocyclohexylidene)methyl]-2-hydroxybenzoate Traditional Name: triammonium 5-[(3-carboxylato-4-hydroxy-phenyl)-(3-carboxylato-4-keto-cyclohexylidene)methyl]-2-hydroxy-benzoate Formula: C22H27N3O9 MolecularWeight: 477.46448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(CC1=C(C2=CC(=C(C=C2)O)C(=O)[O-])C3=CC(=C(C=C3)O)C(=O)[O-])C(=O)[O-].[NH4+].[NH4+].[NH4+]

Isomeric SMILES

C1CC(=O)C(CC1=C(C2=CC(=C(C=C2)O)C(=O)[O-])C3=CC(=C(C=C3)O)C(=O)[O-])C(=O)[O-].[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C22H18O9.3H3N/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;;;/h1-2,4-5,7-8,15,23-24H,3,6,9H2,(H,26,27)(H,28,29)(H,30,31);3*1H3