tetrasodium 2-[6-[carboxylato-(2-oxidanidylphenyl)carbonyl-amino]hexyl]propanedioate

Systemtic Name: tetrasodium 2-[6-[carboxylato-(2-oxidanidylphenyl)carbonyl-amino]hexyl]propanedioate Openeye Name: tetrasodium 2-[6-[carboxylato-(2-oxidobenzoyl)amino]hexyl]propanedioate CAS Name: tetrasodium 2-[6-[carboxylato-[(2-oxidophenyl)-oxomethyl]amino]hexyl]propanedioate IUPAC Name: tetrasodium 2-[6-[carboxylato-(2-oxidobenzoyl)amino]hexyl]propanedioate Traditional Name: tetrasodium 2-[6-[carboxylato-(2-oxidobenzoyl)amino]hexyl]malonate Formula: C17H17NNa4O8 MolecularWeight: 455.27786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N(CCCCCCC(C(=O)[O-])C(=O)[O-])C(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N(CCCCCCC(C(=O)[O-])C(=O)[O-])C(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C17H21NO8.4Na/c19-13-9-5-4-7-11(13)14(20)18(17(25)26)10-6-2-1-3-8-12(15(21)22)16(23)24;;;;/h4-5,7,9,12,19H,1-3,6,8,10H2,(H,21,22)(H,23,24)(H,25,26);;;;/q;4*+1/p-4