sodium 3-methanidylheptane sulfate

Systemtic Name: sodium 3-methanidylheptane sulfate Openeye Name: sodium 3-methanidylheptane sulfate CAS Name: sodium 3-methanidylheptane sulfate IUPAC Name: sodium 3-methanidylheptane sulfate Traditional Name: sodium 3-methanidylheptane sulfate Formula: C8H17NaO4S-2 MolecularWeight: 232.27295

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC([CH2-])CC.[O-]S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCC([CH2-])CC.[O-]S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C8H17.Na.H2O4S/c1-4-6-7-8(3)5-2;;1-5(2,3)4/h8H,3-7H2,1-2H3;;(H2,1,2,3,4)/q-1;+1;/p-2