tetrasodium [2-(2-ethoxy-2-oxidanylidene-ethyl)-4-phosphonatooxy-phenyl] phosphate

Systemtic Name: tetrasodium [2-(2-ethoxy-2-oxidanylidene-ethyl)-4-phosphonatooxy-phenyl] phosphate Openeye Name: tetrasodium [2-(2-ethoxy-2-oxo-ethyl)-4-phosphonatooxy-phenyl] phosphate CAS Name: tetrasodium [2-(2-ethoxy-2-oxoethyl)-4-phosphonatooxyphenyl] phosphate IUPAC Name: tetrasodium [2-(2-ethoxy-2-oxoethyl)-4-phosphonatooxyphenyl] phosphate Traditional Name: tetrasodium [2-(2-ethoxy-2-keto-ethyl)-4-phosphato-phenyl] phosphate Formula: C10H10Na4O10P2 MolecularWeight: 444.087002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C=CC(=C1)OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CCOC(=O)CC1=C(C=CC(=C1)OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C10H14O10P2.4Na/c1-2-18-10(11)6-7-5-8(19-21(12,13)14)3-4-9(7)20-22(15,16)17;;;;/h3-5H,2,6H2,1H3,(H2,12,13,14)(H2,15,16,17);;;;/q;4*+1/p-4