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

Systemtic Name: disodium [1-(4-aminophenyl)-1-phenoxy-3-sulfonatooxy-propan-2-yl] sulfate Openeye Name: disodium [2-(4-aminophenyl)-2-phenoxy-1-(sulfonatooxymethyl)ethyl] sulfate CAS Name: disodium [1-(4-aminophenyl)-1-phenoxy-3-sulfonatooxypropan-2-yl] sulfate IUPAC Name: disodium [1-(4-aminophenyl)-1-phenoxy-3-sulfonatooxypropan-2-yl] sulfate Traditional Name: disodium [2-(4-aminophenyl)-2-phenoxy-1-(sulfatomethyl)ethyl] sulfate Formula: C15H15NNa2O9S2 MolecularWeight: 463.39044

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C15H17NO9S2.2Na/c16-12-8-6-11(7-9-12)15(24-13-4-2-1-3-5-13)14(25-27(20,21)22)10-23-26(17,18)19;;/h1-9,14-15H,10,16H2,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2