trisodium 4-(4-carboxy-3-carboxylato-phenyl)carbonylphthalate

Systemtic Name: trisodium 4-(4-carboxy-3-carboxylato-phenyl)carbonylphthalate Openeye Name: trisodium 4-(4-carboxy-3-carboxylato-benzoyl)phthalate CAS Name: trisodium 4-[(4-carboxy-3-carboxylatophenyl)-oxomethyl]phthalate IUPAC Name: trisodium 4-(4-carboxy-3-carboxylatobenzoyl)phthalate Traditional Name: trisodium 4-(4-carboxy-3-carboxylato-benzoyl)phthalate Formula: C17H7Na3O9 MolecularWeight: 424.20139

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)O.[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C17H10O9.3Na/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26;;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);;;/q;3*+1/p-3