sodium 2-(2-ethylhexyl)-2-sulfo-butanedioate

Systemtic Name: sodium 2-(2-ethylhexyl)-2-sulfo-butanedioate Openeye Name: sodium 2-(2-ethylhexyl)-2-sulfo-butanedioate CAS Name: sodium 2-(2-ethylhexyl)-2-sulfobutanedioate IUPAC Name: sodium 2-(2-ethylhexyl)-2-sulfobutanedioate Traditional Name: sodium 2-(2-ethylhexyl)-2-sulfo-succinate Formula: C12H20NaO7S- MolecularWeight: 331.33777

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22O7S.Na/c1-3-5-6-9(4-2)7-12(11(15)16,8-10(13)14)20(17,18)19;/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16)(H,17,18,19);/q;+1/p-2