disodium (phenylmethyl) N-(2-oxidanylidene-4-phosphonato-butyl)carbamate

Systemtic Name: disodium (phenylmethyl) N-(2-oxidanylidene-4-phosphonato-butyl)carbamate Openeye Name: disodium benzyl N-(2-oxo-4-phosphonato-butyl)carbamate CAS Name: disodium N-(2-oxo-4-phosphonatobutyl)carbamic acid (phenylmethyl) ester IUPAC Name: disodium benzyl N-(2-oxo-4-phosphonatobutyl)carbamate Traditional Name: disodium N-(2-keto-4-phosphonato-butyl)carbamic acid benzyl ester Formula: C12H14NNa2O6P MolecularWeight: 345.195961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16NO6P.2Na/c14-11(6-7-20(16,17)18)8-13-12(15)19-9-10-4-2-1-3-5-10;;/h1-5H,6-9H2,(H,13,15)(H2,16,17,18);;/q;2*+1/p-2