sodium 2,3-bis(2-methylpropyl)-2-sulfo-butanedioate

Systemtic Name: sodium 2,3-bis(2-methylpropyl)-2-sulfo-butanedioate Openeye Name: sodium 2,3-diisobutyl-2-sulfo-butanedioate CAS Name: sodium 2,3-bis(2-methylpropyl)-2-sulfobutanedioate IUPAC Name: sodium 2,3-bis(2-methylpropyl)-2-sulfobutanedioate Traditional Name: sodium 2,3-diisobutyl-2-sulfo-succinate Formula: C12H20NaO7S- MolecularWeight: 331.33777

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22O7S.Na/c1-7(2)5-9(10(13)14)12(11(15)16,6-8(3)4)20(17,18)19;/h7-9H,5-6H2,1-4H3,(H,13,14)(H,15,16)(H,17,18,19);/q;+1/p-2