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6-sulfooxyicosan-7-yl hydrogen sulfate

6-sulfooxyicosan-7-yl hydrogen sulfate

Systemtic Name:6-sulfooxyicosan-7-yl hydrogen sulfate
Openeye Name:(1-pentyl-2-sulfooxy-pentadecyl) hydrogen sulfate
CAS Name:sulfuric acid 6-sulfooxyeicosan-7-yl ester
IUPAC Name:6-sulfooxyicosan-7-yl hydrogen sulfate
Traditional Name:sulfuric acid (1-amyl-2-sulfoxy-pentadecyl) ester
Formula: C20H42O8S2
MolecularWeight: 474.67268
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C(CCCCC)OS(=O)(=O)O)OS(=O)(=O)O


Isomeric SMILES

CCCCCCCCCCCCCC(C(CCCCC)OS(=O)(=O)O)OS(=O)(=O)O


InChI

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


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