disodium 3-(furan-2-yl)-2-[oxidanidyl-[(2-oxidanylideneazepan-1-yl)methyl]phosphoryl]propanoate

Systemtic Name: disodium 3-(furan-2-yl)-2-[oxidanidyl-[(2-oxidanylideneazepan-1-yl)methyl]phosphoryl]propanoate Openeye Name: disodium 3-(2-furyl)-2-[oxido-[(2-oxoazepan-1-yl)methyl]phosphoryl]propanoate CAS Name: disodium 3-(2-furanyl)-2-[oxido-[(2-oxo-1-azepanyl)methyl]phosphoryl]propanoate IUPAC Name: disodium 3-(furan-2-yl)-2-[oxido-[(2-oxoazepan-1-yl)methyl]phosphoryl]propanoate Traditional Name: disodium 3-(2-furyl)-2-[(2-ketoazepan-1-yl)methyl-oxido-phosphoryl]propionate Formula: C14H18NNa2O6P MolecularWeight: 373.249121

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CP(=O)(C(CC2=CC=CO2)C(=O)[O-])[O-].[Na+].[Na+]

Isomeric SMILES

C1CCC(=O)N(CC1)CP(=O)(C(CC2=CC=CO2)C(=O)[O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C14H20NO6P.2Na/c16-13-6-2-1-3-7-15(13)10-22(19,20)12(14(17)18)9-11-5-4-8-21-11;;/h4-5,8,12H,1-3,6-7,9-10H2,(H,17,18)(H,19,20);;/q;2*+1/p-2