sodium; 3-ethylheptylcyclobutane; methyl sulfate

Systemtic Name: sodium; 3-ethylheptylcyclobutane; methyl sulfate Openeye Name: sodium; 3-ethylheptylcyclobutane; methyl sulfate CAS Name: sodium; 3-ethylheptylcyclobutane; methyl sulfate IUPAC Name: sodium; 3-ethylheptylcyclobutane; methyl sulfate Traditional Name: sodium; 3-ethylheptylcyclobutane; methyl sulfate Formula: C14H29NaO4S MolecularWeight: 316.43243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CCC1CCC1.COS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCC(CC)CCC1CCC1.COS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H26.CH4O4S.Na/c1-3-5-7-12(4-2)10-11-13-8-6-9-13;1-5-6(2,3)4;/h12-13H,3-11H2,1-2H3;1H3,(H,2,3,4);/q;;+1/p-1