7-sulfooxydodecan-6-yl hydrogen sulfate

Systemtic Name: 7-sulfooxydodecan-6-yl hydrogen sulfate Openeye Name: (1-pentyl-2-sulfooxy-heptyl) hydrogen sulfate CAS Name: sulfuric acid 7-sulfooxydodecan-6-yl ester IUPAC Name: 7-sulfooxydodecan-6-yl hydrogen sulfate Traditional Name: sulfuric acid (1-amyl-2-sulfoxy-heptyl) ester Formula: C12H26O8S2 MolecularWeight: 362.46004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CCCCC)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CCCCCC(C(CCCCC)OS(=O)(=O)O)OS(=O)(=O)O

InChI

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