3-sulfooxytridecan-4-yl hydrogen sulfate

Systemtic Name: 3-sulfooxytridecan-4-yl hydrogen sulfate Openeye Name: (1-ethyl-2-sulfooxy-undecyl) hydrogen sulfate CAS Name: sulfuric acid 3-sulfooxytridecan-4-yl ester IUPAC Name: 3-sulfooxytridecan-4-yl hydrogen sulfate Traditional Name: sulfuric acid (1-ethyl-2-sulfoxy-undecyl) ester Formula: C13H28O8S2 MolecularWeight: 376.48662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C(CC)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC(C(CC)OS(=O)(=O)O)OS(=O)(=O)O

InChI

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