magnesium; octane; 2-sulfobutanedioate

Systemtic Name: magnesium; octane; 2-sulfobutanedioate Openeye Name: magnesium; octane; 2-sulfobutanedioate CAS Name: magnesium; octane; 2-sulfobutanedioate IUPAC Name: magnesium; octane; 2-sulfobutanedioate Traditional Name: magnesium; octane; 2-sulfosuccinate Formula: C20H38MgO7S-2 MolecularWeight: 446.88152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[CH2-].CCCCCCC[CH2-].C(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-].[Mg+2]

Isomeric SMILES

CCCCCCC[CH2-].CCCCCCC[CH2-].C(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-].[Mg+2]

InChI

InChI=1S/2C8H17.C4H6O7S.Mg/c2*1-3-5-7-8-6-4-2;5-3(6)1-2(4(7)8)12(9,10)11;/h2*1,3-8H2,2H3;2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);/q2*-1;;+2/p-2