magnesium 2-(3-ethyloctan-3-yl)-2-sulfo-butanedioate

Systemtic Name: magnesium 2-(3-ethyloctan-3-yl)-2-sulfo-butanedioate Openeye Name: magnesium 2-(1,1-diethylhexyl)-2-sulfo-butanedioate CAS Name: magnesium 2-(3-ethyloctan-3-yl)-2-sulfobutanedioate IUPAC Name: magnesium 2-(3-ethyloctan-3-yl)-2-sulfobutanedioate Traditional Name: magnesium 2-(1,1-diethylhexyl)-2-sulfo-succinate Formula: C14H24MgO7S MolecularWeight: 360.70616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)(CC)C(CC(=O)[O-])(C(=O)[O-])S(=O)(=O)O.[Mg+2]

Isomeric SMILES

CCCCCC(CC)(CC)C(CC(=O)[O-])(C(=O)[O-])S(=O)(=O)O.[Mg+2]

InChI

InChI=1S/C14H26O7S.Mg/c1-4-7-8-9-13(5-2,6-3)14(12(17)18,10-11(15)16)22(19,20)21;/h4-10H2,1-3H3,(H,15,16)(H,17,18)(H,19,20,21);/q;+2/p-2