tetrasodium 2-(2-ethylhexyl)-2-sulfo-butanedioate

Systemtic Name: tetrasodium 2-(2-ethylhexyl)-2-sulfo-butanedioate Openeye Name: tetrasodium 2-(2-ethylhexyl)-2-sulfo-butanedioate CAS Name: tetrasodium 2-(2-ethylhexyl)-2-sulfobutanedioate IUPAC Name: tetrasodium 2-(2-ethylhexyl)-2-sulfobutanedioate Traditional Name: tetrasodium 2-(2-ethylhexyl)-2-sulfo-succinate Formula: C24H40Na4O14S2 MolecularWeight: 708.65508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CC(=O)[O-])(C(=O)[O-])S(=O)(=O)O.CCCCC(CC)CC(CC(=O)[O-])(C(=O)[O-])S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCC(CC)CC(CC(=O)[O-])(C(=O)[O-])S(=O)(=O)O.CCCCC(CC)CC(CC(=O)[O-])(C(=O)[O-])S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/2C12H22O7S.4Na/c2*1-3-5-6-9(4-2)7-12(11(15)16,8-10(13)14)20(17,18)19;;;;/h2*9H,3-8H2,1-2H3,(H,13,14)(H,15,16)(H,17,18,19);;;;/q;;4*+1/p-4