tetrasodium 4-(2,2-diphosphonatoethyl)aniline

Systemtic Name: tetrasodium 4-(2,2-diphosphonatoethyl)aniline Openeye Name: tetrasodium 4-(2,2-diphosphonatoethyl)aniline CAS Name: tetrasodium 4-(2,2-diphosphonatoethyl)aniline IUPAC Name: tetrasodium 4-(2,2-diphosphonatoethyl)aniline Traditional Name: tetrasodium [4-(2,2-diphosphonatoethyl)phenyl]amine Formula: C8H9NNa4O6P2 MolecularWeight: 369.066762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(P(=O)([O-])[O-])P(=O)([O-])[O-])N.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1CC(P(=O)([O-])[O-])P(=O)([O-])[O-])N.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C8H13NO6P2.4Na/c9-7-3-1-6(2-4-7)5-8(16(10,11)12)17(13,14)15;;;;/h1-4,8H,5,9H2,(H2,10,11,12)(H2,13,14,15);;;;/q;4*+1/p-4