(5-methyl-1-sulfooxy-nonadecan-4-yl) hydrogen sulfate

Systemtic Name: (5-methyl-1-sulfooxy-nonadecan-4-yl) hydrogen sulfate Openeye Name: (5-methyl-4-sulfooxy-nonadecyl) hydrogen sulfate CAS Name: sulfuric acid (5-methyl-1-sulfooxynonadecan-4-yl) ester IUPAC Name: (5-methyl-1-sulfooxynonadecan-4-yl) hydrogen sulfate Traditional Name: sulfuric acid (5-methyl-4-sulfoxy-nonadecyl) ester Formula: C20H42O8S2 MolecularWeight: 474.67268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)C(CCCOS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(C)C(CCCOS(=O)(=O)O)OS(=O)(=O)O

InChI

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