disodium (phenylmethyl) N-(2-oxidanylidene-3-phosphonato-propyl)carbamate

Systemtic Name: disodium (phenylmethyl) N-(2-oxidanylidene-3-phosphonato-propyl)carbamate Openeye Name: disodium benzyl N-(2-oxo-3-phosphonato-propyl)carbamate CAS Name: disodium N-(2-oxo-3-phosphonatopropyl)carbamic acid (phenylmethyl) ester IUPAC Name: disodium benzyl N-(2-oxo-3-phosphonatopropyl)carbamate Traditional Name: disodium N-(2-keto-3-phosphonato-propyl)carbamic acid benzyl ester Formula: C11H12NNa2O6P MolecularWeight: 331.169381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC(=O)CP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC(=O)CP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C11H14NO6P.2Na/c13-10(8-19(15,16)17)6-12-11(14)18-7-9-4-2-1-3-5-9;;/h1-5H,6-8H2,(H,12,14)(H2,15,16,17);;/q;2*+1/p-2