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

Systemtic Name: [1-(4-azanylphenoxy)-1-(4-nitrophenyl)-3-sulfooxy-propan-2-yl] hydrogen sulfate Openeye Name: [2-(4-aminophenoxy)-2-(4-nitrophenyl)-1-(sulfooxymethyl)ethyl] hydrogen sulfate CAS Name: sulfuric acid [1-(4-aminophenoxy)-1-(4-nitrophenyl)-3-sulfooxypropan-2-yl] ester IUPAC Name: [1-(4-aminophenoxy)-1-(4-nitrophenyl)-3-sulfooxypropan-2-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-(4-aminophenoxy)-2-(4-nitrophenyl)-1-(sulfoxymethyl)ethyl] ester Formula: C15H16N2O11S2 MolecularWeight: 464.42434

Click to see the large picture

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)