20-sulfooxyicosan-5-yl hydrogen sulfate

Systemtic Name: 20-sulfooxyicosan-5-yl hydrogen sulfate Openeye Name: (1-butyl-16-sulfooxy-hexadecyl) hydrogen sulfate CAS Name: sulfuric acid 20-sulfooxyeicosan-5-yl ester IUPAC Name: 20-sulfooxyicosan-5-yl hydrogen sulfate Traditional Name: sulfuric acid (1-butyl-16-sulfoxy-hexadecyl) ester Formula: C20H42O8S2 MolecularWeight: 474.67268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCCCCCCCCCCCCOS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CCCCC(CCCCCCCCCCCCCCCOS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C20H42O8S2/c1-2-3-17-20(28-30(24,25)26)18-15-13-11-9-7-5-4-6-8-10-12-14-16-19-27-29(21,22)23/h20H,2-19H2,1H3,(H,21,22,23)(H,24,25,26)