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

Systemtic Name: [1-(4-azanylphenoxy)-1-(4-nitrophenyl)-3-sulfonatooxy-propan-2-yl] sulfate Openeye Name: [2-(4-aminophenoxy)-2-(4-nitrophenyl)-1-(sulfonatooxymethyl)ethyl] sulfate CAS Name: [1-(4-aminophenoxy)-1-(4-nitrophenyl)-3-sulfonatooxypropan-2-yl] sulfate IUPAC Name: [1-(4-aminophenoxy)-1-(4-nitrophenyl)-3-sulfonatooxypropan-2-yl] sulfate Traditional Name: [2-(4-aminophenoxy)-2-(4-nitrophenyl)-1-(sulfatomethyl)ethyl] sulfate Formula: C15H14N2O11S2-2 MolecularWeight: 462.40846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(COS(=O)(=O)[O-])OS(=O)(=O)[O-])OC2=CC=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C(COS(=O)(=O)[O-])OS(=O)(=O)[O-])OC2=CC=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O11S2/c16-11-3-7-13(8-4-11)27-15(10-1-5-12(6-2-10)17(18)19)14(28-30(23,24)25)9-26-29(20,21)22/h1-8,14-15H,9,16H2,(H,20,21,22)(H,23,24,25)/p-2