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5-sulfooxytridecan-6-yl hydrogen sulfate

5-sulfooxytridecan-6-yl hydrogen sulfate

Systemtic Name:5-sulfooxytridecan-6-yl hydrogen sulfate
Openeye Name:(1-butyl-2-sulfooxy-nonyl) hydrogen sulfate
CAS Name:sulfuric acid 5-sulfooxytridecan-6-yl ester
IUPAC Name:5-sulfooxytridecan-6-yl hydrogen sulfate
Traditional Name:sulfuric acid (1-butyl-2-sulfoxy-nonyl) ester
Formula: C13H28O8S2
MolecularWeight: 376.48662
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(CCCC)OS(=O)(=O)O)OS(=O)(=O)O


Isomeric SMILES

CCCCCCCC(C(CCCC)OS(=O)(=O)O)OS(=O)(=O)O


InChI

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


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