tripotassium 2,3-bis(5-ethylnonan-2-yl)-2-sulfonato-butanedioate

Systemtic Name: tripotassium 2,3-bis(5-ethylnonan-2-yl)-2-sulfonato-butanedioate Openeye Name: tripotassium 2,3-bis(4-ethyl-1-methyl-octyl)-2-sulfonato-butanedioate CAS Name: tripotassium 2,3-bis(5-ethylnonan-2-yl)-2-sulfonatobutanedioate IUPAC Name: tripotassium 2,3-bis(5-ethylnonan-2-yl)-2-sulfonatobutanedioate Traditional Name: tripotassium 2,3-bis(4-ethyl-1-methyl-octyl)-2-sulfonato-succinate Formula: C26H47K3O7S MolecularWeight: 621.00708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CCC(C)C(C(=O)[O-])C(C(C)CCC(CC)CCCC)(C(=O)[O-])S(=O)(=O)[O-].[K+].[K+].[K+]

Isomeric SMILES

CCCCC(CC)CCC(C)C(C(=O)[O-])C(C(C)CCC(CC)CCCC)(C(=O)[O-])S(=O)(=O)[O-].[K+].[K+].[K+]

InChI

InChI=1S/C26H50O7S.3K/c1-7-11-13-21(9-3)17-15-19(5)23(24(27)28)26(25(29)30,34(31,32)33)20(6)16-18-22(10-4)14-12-8-2;;;/h19-23H,7-18H2,1-6H3,(H,27,28)(H,29,30)(H,31,32,33);;;/q;3*+1/p-3