disodium [1-(4-chloranylphenoxy)-1-phenyl-3-sulfonatooxy-propan-2-yl] sulfate

Systemtic Name: disodium [1-(4-chloranylphenoxy)-1-phenyl-3-sulfonatooxy-propan-2-yl] sulfate Openeye Name: disodium [2-(4-chlorophenoxy)-2-phenyl-1-(sulfonatooxymethyl)ethyl] sulfate CAS Name: disodium [1-(4-chlorophenoxy)-1-phenyl-3-sulfonatooxypropan-2-yl] sulfate IUPAC Name: disodium [1-(4-chlorophenoxy)-1-phenyl-3-sulfonatooxypropan-2-yl] sulfate Traditional Name: disodium [2-(4-chlorophenoxy)-2-phenyl-1-(sulfatomethyl)ethyl] sulfate Formula: C15H13ClNa2O9S2 MolecularWeight: 482.82086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(COS(=O)(=O)[O-])OS(=O)(=O)[O-])OC2=CC=C(C=C2)Cl.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(C(COS(=O)(=O)[O-])OS(=O)(=O)[O-])OC2=CC=C(C=C2)Cl.[Na+].[Na+]

InChI

InChI=1S/C15H15ClO9S2.2Na/c16-12-6-8-13(9-7-12)24-15(11-4-2-1-3-5-11)14(25-27(20,21)22)10-23-26(17,18)19;;/h1-9,14-15H,10H2,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2