dioctylalumanylium; 2-sulfobutanedioate

Systemtic Name: dioctylalumanylium; 2-sulfobutanedioate Openeye Name: dioctylalumanylium; 2-sulfobutanedioate CAS Name: dioctylalumanylium; 2-sulfobutanedioate IUPAC Name: dioctylalumanylium; 2-sulfobutanedioate Traditional Name: dioctylalumanylium; 2-sulfosuccinate Formula: C20H38AlO7S- MolecularWeight: 449.558058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[Al+]CCCCCCCC.C(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCC[Al+]CCCCCCCC.C(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

InChI

InChI=1S/2C8H17.C4H6O7S.Al/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);/q;;;+1/p-2