(5-methyl-1-sulfooxy-undecan-4-yl) hydrogen sulfate

Systemtic Name: (5-methyl-1-sulfooxy-undecan-4-yl) hydrogen sulfate Openeye Name: [2-methyl-1-(3-sulfooxypropyl)octyl] hydrogen sulfate CAS Name: sulfuric acid (5-methyl-1-sulfooxyundecan-4-yl) ester IUPAC Name: (5-methyl-1-sulfooxyundecan-4-yl) hydrogen sulfate Traditional Name: sulfuric acid [2-methyl-1-(3-sulfoxypropyl)octyl] ester Formula: C12H26O8S2 MolecularWeight: 362.46004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(CCCOS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CCCCCCC(C)C(CCCOS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C12H26O8S2/c1-3-4-5-6-8-11(2)12(20-22(16,17)18)9-7-10-19-21(13,14)15/h11-12H,3-10H2,1-2H3,(H,13,14,15)(H,16,17,18)