disodium [1-(4-nitrophenyl)-1-phenoxy-3-sulfonatooxy-propan-2-yl] sulfate

Systemtic Name: disodium [1-(4-nitrophenyl)-1-phenoxy-3-sulfonatooxy-propan-2-yl] sulfate Openeye Name: disodium [2-(4-nitrophenyl)-2-phenoxy-1-(sulfonatooxymethyl)ethyl] sulfate CAS Name: disodium [1-(4-nitrophenyl)-1-phenoxy-3-sulfonatooxypropan-2-yl] sulfate IUPAC Name: disodium [1-(4-nitrophenyl)-1-phenoxy-3-sulfonatooxypropan-2-yl] sulfate Traditional Name: disodium [2-(4-nitrophenyl)-2-phenoxy-1-(sulfatomethyl)ethyl] sulfate Formula: C15H13NNa2O11S2 MolecularWeight: 493.37336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(C2=CC=C(C=C2)[N+](=O)[O-])C(COS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)OC(C2=CC=C(C=C2)[N+](=O)[O-])C(COS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C15H15NO11S2.2Na/c17-16(18)12-8-6-11(7-9-12)15(26-13-4-2-1-3-5-13)14(27-29(22,23)24)10-25-28(19,20)21;;/h1-9,14-15H,10H2,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2