4-sulfooxyicosan-5-yl hydrogen sulfate

Systemtic Name: 4-sulfooxyicosan-5-yl hydrogen sulfate Openeye Name: (1-propyl-2-sulfooxy-heptadecyl) hydrogen sulfate CAS Name: sulfuric acid 4-sulfooxyeicosan-5-yl ester IUPAC Name: 4-sulfooxyicosan-5-yl hydrogen sulfate Traditional Name: sulfuric acid (1-propyl-2-sulfoxy-heptadecyl) ester Formula: C20H42O8S2 MolecularWeight: 474.67268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(CCC)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(CCC)OS(=O)(=O)O)OS(=O)(=O)O

InChI

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