disodium [5-(carboxymethylsulfonylmethyl)-2-methoxy-phenyl] phosphate

Systemtic Name: disodium [5-(carboxymethylsulfonylmethyl)-2-methoxy-phenyl] phosphate Openeye Name: disodium [5-(carboxymethylsulfonylmethyl)-2-methoxy-phenyl] phosphate CAS Name: disodium [5-(carboxymethylsulfonylmethyl)-2-methoxyphenyl] phosphate IUPAC Name: disodium [5-(carboxymethylsulfonylmethyl)-2-methoxyphenyl] phosphate Traditional Name: disodium [5-(carboxymethylsulfonylmethyl)-2-methoxy-phenyl] phosphate Formula: C10H11Na2O9PS MolecularWeight: 384.207241

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CS(=O)(=O)CC(=O)O)OP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)CS(=O)(=O)CC(=O)O)OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C10H13O9PS.2Na/c1-18-8-3-2-7(4-9(8)19-20(13,14)15)5-21(16,17)6-10(11)12;;/h2-4H,5-6H2,1H3,(H,11,12)(H2,13,14,15);;/q;2*+1/p-2