lithium(1-); octane; 2-sulfobutanedioate

Systemtic Name: lithium(1-); octane; 2-sulfobutanedioate Openeye Name: lithium(1-); octane; 2-sulfobutanedioate CAS Name: lithium(1-); octane; 2-sulfobutanedioate IUPAC Name: lithium(1-); octane; 2-sulfobutanedioate Traditional Name: lithium(1-); octane; 2-sulfosuccinate Formula: C20H38LiO7S-5 MolecularWeight: 429.51752

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Descriptors Computed from Structure

Canonical SMILES:

[Li-].CCCCCCC[CH2-].CCCCCCC[CH2-].C(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

Isomeric SMILES

[Li-].CCCCCCC[CH2-].CCCCCCC[CH2-].C(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

InChI

InChI=1S/2C8H17.C4H6O7S.Li/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;;-1/p-2