tetrasodium N-(4-phosphonatophenyl)-4-[[4-[(4-phosphonatophenyl)carbamoyl]phenyl]carbamoylamino]benzamide

Systemtic Name: tetrasodium N-(4-phosphonatophenyl)-4-[[4-[(4-phosphonatophenyl)carbamoyl]phenyl]carbamoylamino]benzamide Openeye Name: tetrasodium N-(4-phosphonatophenyl)-4-[[4-[(4-phosphonatophenyl)carbamoyl]phenyl]carbamoylamino]benzamide CAS Name: tetrasodium 4-[[oxo-[4-[oxo-(4-phosphonatoanilino)methyl]anilino]methyl]amino]-N-(4-phosphonatophenyl)benzamide IUPAC Name: tetrasodium N-(4-phosphonatophenyl)-4-[[4-[(4-phosphonatophenyl)carbamoyl]phenyl]carbamoylamino]benzamide Traditional Name: tetrasodium N-(4-phosphonatophenyl)-4-[[4-[(4-phosphonatophenyl)carbamoyl]phenyl]carbamoylamino]benzamide Formula: C27H20N4Na4O9P2 MolecularWeight: 698.375702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)P(=O)([O-])[O-])NC(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)P(=O)([O-])[O-])NC(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C27H24N4O9P2.4Na/c32-25(28-19-9-13-23(14-10-19)41(35,36)37)17-1-5-21(6-2-17)30-27(34)31-22-7-3-18(4-8-22)26(33)29-20-11-15-24(16-12-20)42(38,39)40;;;;/h1-16H,(H,28,32)(H,29,33)(H2,30,31,34)(H2,35,36,37)(H2,38,39,40);;;;/q;4*+1/p-4