trisodium 3-(2-oxidanidyl-2-oxidanylidene-ethoxy)-5-[[oxidanidyl(oxidanyl)phosphoryl]-oxidanyl-methyl]benzoate

Systemtic Name: trisodium 3-(2-oxidanidyl-2-oxidanylidene-ethoxy)-5-[[oxidanidyl(oxidanyl)phosphoryl]-oxidanyl-methyl]benzoate Openeye Name: trisodium 3-[hydroxy-[hydroxy(oxido)phosphoryl]methyl]-5-(2-oxido-2-oxo-ethoxy)benzoate CAS Name: trisodium 3-[hydroxy-[hydroxy(oxido)phosphoryl]methyl]-5-(2-oxido-2-oxoethoxy)benzoate IUPAC Name: trisodium 3-[hydroxy-[hydroxy(oxido)phosphoryl]methyl]-5-(2-oxido-2-oxoethoxy)benzoate Traditional Name: trisodium 3-[hydroxy-[hydroxy(oxido)phosphoryl]methyl]-5-(2-keto-2-oxido-ethoxy)benzoate Formula: C10H8Na3O9P MolecularWeight: 372.108191

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1OCC(=O)[O-])C(=O)[O-])C(O)P(=O)(O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=C(C=C(C=C1OCC(=O)[O-])C(=O)[O-])C(O)P(=O)(O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C10H11O9P.3Na/c11-8(12)4-19-7-2-5(9(13)14)1-6(3-7)10(15)20(16,17)18;;;/h1-3,10,15H,4H2,(H,11,12)(H,13,14)(H2,16,17,18);;;/q;3*+1/p-3