heptan-2-ylazanium sulfate

Systemtic Name: heptan-2-ylazanium sulfate Openeye Name: 1-methylhexylammonium sulfate CAS Name: heptan-2-ylammonium sulfate IUPAC Name: heptan-2-ylazanium sulfate Traditional Name: 1-methylhexylammonium sulfate Formula: C14H36N2O4S MolecularWeight: 328.51164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H17N.H2O4S/c2*1-3-4-5-6-7(2)8;1-5(2,3)4/h2*7H,3-6,8H2,1-2H3;(H2,1,2,3,4)