6-methylheptan-2-ylazanium sulfate

Systemtic Name: 6-methylheptan-2-ylazanium sulfate Openeye Name: 1,5-dimethylhexylammonium sulfate CAS Name: 6-methylheptan-2-ylammonium sulfate IUPAC Name: 6-methylheptan-2-ylazanium sulfate Traditional Name: 1,5-dimethylhexylammonium sulfate Formula: C8H20NO4S- MolecularWeight: 226.3137

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)[NH3+].[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC(C)CCCC(C)[NH3+].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C8H19N.H2O4S/c1-7(2)5-4-6-8(3)9;1-5(2,3)4/h7-8H,4-6,9H2,1-3H3;(H2,1,2,3,4)/p-1