2-azaniumyl-2-methyl-1-sulfonatosulfanyl-octane

Systemtic Name: 2-azaniumyl-2-methyl-1-sulfonatosulfanyl-octane Openeye Name: 2-azaniumyl-2-methyl-1-sulfonatosulfanyl-octane CAS Name: 2-ammonio-2-methyl-1-(sulfonatothio)octane IUPAC Name: 2-azaniumyl-2-methyl-1-sulfonatosulfanyloctane Traditional Name: 2-ammonio-2-methyl-1-(sulfonatothio)octane Formula: C9H21NO3S2 MolecularWeight: 255.39794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(CSS(=O)(=O)[O-])[NH3+]

Isomeric SMILES

CCCCCCC(C)(CSS(=O)(=O)[O-])[NH3+]

InChI

InChI=1S/C9H21NO3S2/c1-3-4-5-6-7-9(2,10)8-14-15(11,12)13/h3-8,10H2,1-2H3,(H,11,12,13)