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: C16H40N2O4S MolecularWeight: 356.5648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H19N.H2O4S/c2*1-7(2)5-4-6-8(3)9;1-5(2,3)4/h2*7-8H,4-6,9H2,1-3H3;(H2,1,2,3,4)