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

Systemtic Name: [1-(4-aminophenyl)-1-(4-azanylphenoxy)-3-sulfonatooxy-propan-2-yl] sulfate Openeye Name: [2-(4-aminophenoxy)-2-(4-aminophenyl)-1-(sulfonatooxymethyl)ethyl] sulfate CAS Name: [1-(4-aminophenoxy)-1-(4-aminophenyl)-3-sulfonatooxypropan-2-yl] sulfate IUPAC Name: [1-(4-aminophenoxy)-1-(4-aminophenyl)-3-sulfonatooxypropan-2-yl] sulfate Traditional Name: [2-(4-aminophenoxy)-2-(4-aminophenyl)-1-(sulfatomethyl)ethyl] sulfate Formula: C15H16N2O9S2-2 MolecularWeight: 432.42554

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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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O9S2/c16-11-3-1-10(2-4-11)15(25-13-7-5-12(17)6-8-13)14(26-28(21,22)23)9-24-27(18,19)20/h1-8,14-15H,9,16-17H2,(H,18,19,20)(H,21,22,23)/p-2