6-sulfooxytridecan-7-yl hydrogen sulfate

Systemtic Name: 6-sulfooxytridecan-7-yl hydrogen sulfate Openeye Name: (1-hexyl-2-sulfooxy-heptyl) hydrogen sulfate CAS Name: sulfuric acid 6-sulfooxytridecan-7-yl ester IUPAC Name: 6-sulfooxytridecan-7-yl hydrogen sulfate Traditional Name: sulfuric acid (1-amyl-2-sulfoxy-octyl) ester Formula: C13H28O8S2 MolecularWeight: 376.48662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CCCCC)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CCCCCCC(C(CCCCC)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C13H28O8S2/c1-3-5-7-9-11-13(21-23(17,18)19)12(10-8-6-4-2)20-22(14,15)16/h12-13H,3-11H2,1-2H3,(H,14,15,16)(H,17,18,19)