(1-phenylmethoxy-3-sulfooxy-propan-2-yl) hydrogen sulfate

Systemtic Name: (1-phenylmethoxy-3-sulfooxy-propan-2-yl) hydrogen sulfate Openeye Name: [1-(benzyloxymethyl)-2-sulfooxy-ethyl] hydrogen sulfate CAS Name: sulfuric acid (1-phenylmethoxy-3-sulfooxypropan-2-yl) ester IUPAC Name: (1-phenylmethoxy-3-sulfooxypropan-2-yl) hydrogen sulfate Traditional Name: sulfuric acid [1-(benzoxymethyl)-2-sulfoxy-ethyl] ester Formula: C10H14O9S2 MolecularWeight: 342.34276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(COS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COCC(COS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C10H14O9S2/c11-20(12,13)18-8-10(19-21(14,15)16)7-17-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,11,12,13)(H,14,15,16)