ditridecan-2-yl sulfate

Systemtic Name: ditridecan-2-yl sulfate Openeye Name: bis(1-methyldodecyl) sulfate CAS Name: sulfuric acid ditridecan-2-yl ester IUPAC Name: ditridecan-2-yl sulfate Traditional Name: sulfuric acid bis(1-methyldodecyl) ester Formula: C26H54O4S MolecularWeight: 462.76956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C)OS(=O)(=O)OC(C)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(C)OS(=O)(=O)OC(C)CCCCCCCCCCC

InChI

InChI=1S/C26H54O4S/c1-5-7-9-11-13-15-17-19-21-23-25(3)29-31(27,28)30-26(4)24-22-20-18-16-14-12-10-8-6-2/h25-26H,5-24H2,1-4H3