tetrasodium N-[8-[methanoyl-(4-phosphonatophenyl)amino]octyl]-N-(4-phosphonatophenyl)methanamide

Systemtic Name: tetrasodium N-[8-[methanoyl-(4-phosphonatophenyl)amino]octyl]-N-(4-phosphonatophenyl)methanamide Openeye Name: tetrasodium N-[8-(N-formyl-4-phosphonato-anilino)octyl]-N-(4-phosphonatophenyl)formamide CAS Name: tetrasodium N-[8-(N-formyl-4-phosphonatoanilino)octyl]-N-(4-phosphonatophenyl)formamide IUPAC Name: tetrasodium N-[8-(N-formyl-4-phosphonatoanilino)octyl]-N-(4-phosphonatophenyl)formamide Traditional Name: tetrasodium N-[8-(N-formyl-4-phosphonato-anilino)octyl]-N-(4-phosphonatophenyl)formamide Formula: C22H26N2Na4O8P2 MolecularWeight: 600.357042

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H30N2O8P2.4Na/c25-17-23(19-7-11-21(12-8-19)33(27,28)29)15-5-3-1-2-4-6-16-24(18-26)20-9-13-22(14-10-20)34(30,31)32;;;;/h7-14,17-18H,1-6,15-16H2,(H2,27,28,29)(H2,30,31,32);;;;/q;4*+1/p-4