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

Systemtic Name: [1-(4-aminophenyl)-1-(4-azanylphenoxy)-3-sulfooxy-propan-2-yl] hydrogen sulfate Openeye Name: [2-(4-aminophenoxy)-2-(4-aminophenyl)-1-(sulfooxymethyl)ethyl] hydrogen sulfate CAS Name: sulfuric acid [1-(4-aminophenoxy)-1-(4-aminophenyl)-3-sulfooxypropan-2-yl] ester IUPAC Name: [1-(4-aminophenoxy)-1-(4-aminophenyl)-3-sulfooxypropan-2-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-(4-aminophenoxy)-2-(4-aminophenyl)-1-(sulfoxymethyl)ethyl] ester Formula: C15H18N2O9S2 MolecularWeight: 434.44142

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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)