disodium 5-chloranyl-1-[[2-(phosphonatomethyl)phenyl]methyl]pyrimidine-2,4-dione

Systemtic Name: disodium 5-chloranyl-1-[[2-(phosphonatomethyl)phenyl]methyl]pyrimidine-2,4-dione Openeye Name: disodium 5-chloro-1-[[2-(phosphonatomethyl)phenyl]methyl]pyrimidine-2,4-dione CAS Name: disodium 5-chloro-1-[[2-(phosphonatomethyl)phenyl]methyl]pyrimidine-2,4-dione IUPAC Name: disodium 5-chloro-1-[[2-(phosphonatomethyl)phenyl]methyl]pyrimidine-2,4-dione Traditional Name: disodium 5-chloro-1-[2-(phosphonatomethyl)benzyl]pyrimidine-2,4-quinone Formula: C12H10ClN2Na2O5P MolecularWeight: 374.624501

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C(C(=O)NC2=O)Cl)CP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C(C(=O)NC2=O)Cl)CP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C12H12ClN2O5P.2Na/c13-10-6-15(12(17)14-11(10)16)5-8-3-1-2-4-9(8)7-21(18,19)20;;/h1-4,6H,5,7H2,(H,14,16,17)(H2,18,19,20);;/q;2*+1/p-2