[1-(4-nitrophenyl)-1-phenoxy-3-sulfooxy-propan-2-yl] hydrogen sulfate

Systemtic Name: [1-(4-nitrophenyl)-1-phenoxy-3-sulfooxy-propan-2-yl] hydrogen sulfate Openeye Name: [2-(4-nitrophenyl)-2-phenoxy-1-(sulfooxymethyl)ethyl] hydrogen sulfate CAS Name: sulfuric acid [1-(4-nitrophenyl)-1-phenoxy-3-sulfooxypropan-2-yl] ester IUPAC Name: [1-(4-nitrophenyl)-1-phenoxy-3-sulfooxypropan-2-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-(4-nitrophenyl)-2-phenoxy-1-(sulfoxymethyl)ethyl] ester Formula: C15H15NO11S2 MolecularWeight: 449.4097

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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

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

InChI

InChI=1S/C15H15NO11S2/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)