tetrasodium N-[7-[methanoyl-(4-phosphonatophenyl)amino]heptyl]-N-(4-phosphonatophenyl)methanamide

Systemtic Name: tetrasodium N-[7-[methanoyl-(4-phosphonatophenyl)amino]heptyl]-N-(4-phosphonatophenyl)methanamide Openeye Name: tetrasodium N-[7-(N-formyl-4-phosphonato-anilino)heptyl]-N-(4-phosphonatophenyl)formamide CAS Name: tetrasodium N-[7-(N-formyl-4-phosphonatoanilino)heptyl]-N-(4-phosphonatophenyl)formamide IUPAC Name: tetrasodium N-[7-(N-formyl-4-phosphonatoanilino)heptyl]-N-(4-phosphonatophenyl)formamide Traditional Name: tetrasodium N-[7-(N-formyl-4-phosphonato-anilino)heptyl]-N-(4-phosphonatophenyl)formamide Formula: C21H24N2Na4O8P2 MolecularWeight: 586.330462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCCCCCCN(C=O)C2=CC=C(C=C2)P(=O)([O-])[O-])C=O)P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N(CCCCCCCN(C=O)C2=CC=C(C=C2)P(=O)([O-])[O-])C=O)P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C21H28N2O8P2.4Na/c24-16-22(18-6-10-20(11-7-18)32(26,27)28)14-4-2-1-3-5-15-23(17-25)19-8-12-21(13-9-19)33(29,30)31;;;;/h6-13,16-17H,1-5,14-15H2,(H2,26,27,28)(H2,29,30,31);;;;/q;4*+1/p-4