[azanyl(2-azanylethylsulfanyl)methylidene]-octanoyl-azanium sulfate

Systemtic Name: [azanyl(2-azanylethylsulfanyl)methylidene]-octanoyl-azanium sulfate Openeye Name: [amino(2-aminoethylsulfanyl)methylene]-octanoyl-ammonium sulfate CAS Name: [amino-(2-aminoethylthio)methylidene]-(1-oxooctyl)ammonium sulfate IUPAC Name: [amino(2-aminoethylsulfanyl)methylidene]-octanoylazanium sulfate Traditional Name: [amino-(2-aminoethylthio)methylene]-caprylyl-ammonium sulfate Formula: C22H48N6O6S3 MolecularWeight: 588.84812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C11H23N3OS.H2O4S/c2*1-2-3-4-5-6-7-10(15)14-11(13)16-9-8-12;1-5(2,3)4/h2*2-9,12H2,1H3,(H2,13,14,15);(H2,1,2,3,4)