(1-phenoxy-1-phenyl-3-sulfooxy-propan-2-yl) hydrogen sulfate

Systemtic Name: (1-phenoxy-1-phenyl-3-sulfooxy-propan-2-yl) hydrogen sulfate Openeye Name: [2-phenoxy-2-phenyl-1-(sulfooxymethyl)ethyl] hydrogen sulfate CAS Name: sulfuric acid (1-phenoxy-1-phenyl-3-sulfooxypropan-2-yl) ester IUPAC Name: (1-phenoxy-1-phenyl-3-sulfooxypropan-2-yl) hydrogen sulfate Traditional Name: sulfuric acid [2-phenoxy-2-phenyl-1-(sulfoxymethyl)ethyl] ester Formula: C15H16O9S2 MolecularWeight: 404.41214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(COS(=O)(=O)O)OS(=O)(=O)O)OC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(C(COS(=O)(=O)O)OS(=O)(=O)O)OC2=CC=CC=C2

InChI

InChI=1S/C15H16O9S2/c16-25(17,18)22-11-14(24-26(19,20)21)15(12-7-3-1-4-8-12)23-13-9-5-2-6-10-13/h1-10,14-15H,11H2,(H,16,17,18)(H,19,20,21)