(7-ethyl-2-methyl-1-oxidanyl-undecan-4-yl) hydrogen sulfate

Systemtic Name: (7-ethyl-2-methyl-1-oxidanyl-undecan-4-yl) hydrogen sulfate Openeye Name: [4-ethyl-1-(3-hydroxy-2-methyl-propyl)octyl] hydrogen sulfate CAS Name: sulfuric acid (7-ethyl-1-hydroxy-2-methylundecan-4-yl) ester IUPAC Name: (7-ethyl-1-hydroxy-2-methylundecan-4-yl) hydrogen sulfate Traditional Name: sulfuric acid [4-ethyl-1-(3-hydroxy-2-methyl-propyl)octyl] ester Formula: C14H30O5S MolecularWeight: 310.45

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CCC(CC(C)CO)OS(=O)(=O)O

Isomeric SMILES

CCCCC(CC)CCC(CC(C)CO)OS(=O)(=O)O

InChI

InChI=1S/C14H30O5S/c1-4-6-7-13(5-2)8-9-14(10-12(3)11-15)19-20(16,17)18/h12-15H,4-11H2,1-3H3,(H,16,17,18)