disodium 3-(2-phosphonatophenyl)propane-1,2-diol

Systemtic Name: disodium 3-(2-phosphonatophenyl)propane-1,2-diol Openeye Name: disodium 3-(2-phosphonatophenyl)propane-1,2-diol CAS Name: disodium 3-(2-phosphonatophenyl)propane-1,2-diol IUPAC Name: disodium 3-(2-phosphonatophenyl)propane-1,2-diol Traditional Name: disodium 3-(2-phosphonatophenyl)propane-1,2-diol Formula: C9H11Na2O5P MolecularWeight: 276.133941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13O5P.2Na/c10-6-8(11)5-7-3-1-2-4-9(7)15(12,13)14;;/h1-4,8,10-11H,5-6H2,(H2,12,13,14);;/q;2*+1/p-2