[azanyl(sulfanyl)methylidene]-octan-2-yl-azanium sulfate

Systemtic Name: [azanyl(sulfanyl)methylidene]-octan-2-yl-azanium sulfate Openeye Name: [amino(sulfanyl)methylene]-(1-methylheptyl)ammonium sulfate CAS Name: [amino(mercapto)methylidene]-octan-2-ylammonium sulfate IUPAC Name: [amino(sulfanyl)methylidene]-octan-2-ylazanium sulfate Traditional Name: [amino(mercapto)methylene]-(1-methylheptyl)ammonium sulfate Formula: C18H42N4O4S3 MolecularWeight: 474.74548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)[NH+]=C(N)S.CCCCCCC(C)[NH+]=C(N)S.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCC(C)[NH+]=C(N)S.CCCCCCC(C)[NH+]=C(N)S.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C9H20N2S.H2O4S/c2*1-3-4-5-6-7-8(2)11-9(10)12;1-5(2,3)4/h2*8H,3-7H2,1-2H3,(H3,10,11,12);(H2,1,2,3,4)