trisodium 2,2-diethyl-3-hexyl-3-sulfonato-butanedioate

Systemtic Name: trisodium 2,2-diethyl-3-hexyl-3-sulfonato-butanedioate Openeye Name: trisodium 2,2-diethyl-3-hexyl-3-sulfonato-butanedioate CAS Name: trisodium 2,2-diethyl-3-hexyl-3-sulfonatobutanedioate IUPAC Name: trisodium 2,2-diethyl-3-hexyl-3-sulfonatobutanedioate Traditional Name: trisodium 2,2-diethyl-3-hexyl-3-sulfonato-succinate Formula: C14H23Na3O7S MolecularWeight: 404.36253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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