[3-sulfooxy-2,2-bis(sulfooxymethyl)propyl] hydrogen sulfate

Systemtic Name: [3-sulfooxy-2,2-bis(sulfooxymethyl)propyl] hydrogen sulfate Openeye Name: [3-sulfooxy-2,2-bis(sulfooxymethyl)propyl] hydrogen sulfate CAS Name: sulfuric acid [3-sulfooxy-2,2-bis(sulfooxymethyl)propyl] ester IUPAC Name: [3-sulfooxy-2,2-bis(sulfooxymethyl)propyl] hydrogen sulfate Traditional Name: sulfuric acid [3-sulfoxy-2,2-bis(sulfoxymethyl)propyl] ester Formula: C5H12O16S4 MolecularWeight: 456.39918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C(COS(=O)(=O)O)(COS(=O)(=O)O)COS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

C(C(COS(=O)(=O)O)(COS(=O)(=O)O)COS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C5H12O16S4/c6-22(7,8)18-1-5(2-19-23(9,10)11,3-20-24(12,13)14)4-21-25(15,16)17/h1-4H2,(H,6,7,8)(H,9,10,11)(H,12,13,14)(H,15,16,17)