7-sulfooxyicosan-8-yl hydrogen sulfate

Systemtic Name: 7-sulfooxyicosan-8-yl hydrogen sulfate Openeye Name: (1-hexyl-2-sulfooxy-tetradecyl) hydrogen sulfate CAS Name: sulfuric acid 7-sulfooxyeicosan-8-yl ester IUPAC Name: 7-sulfooxyicosan-8-yl hydrogen sulfate Traditional Name: sulfuric acid (1-hexyl-2-sulfoxy-tetradecyl) ester Formula: C20H42O8S2 MolecularWeight: 474.67268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(CCCCCC)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(C(CCCCCC)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C20H42O8S2/c1-3-5-7-9-10-11-12-13-14-16-18-20(28-30(24,25)26)19(27-29(21,22)23)17-15-8-6-4-2/h19-20H,3-18H2,1-2H3,(H,21,22,23)(H,24,25,26)