sodium 2-(2-methylpropyl)-2-sulfo-butanedioate

Systemtic Name: sodium 2-(2-methylpropyl)-2-sulfo-butanedioate Openeye Name: sodium 2-isobutyl-2-sulfo-butanedioate CAS Name: sodium 2-(2-methylpropyl)-2-sulfobutanedioate IUPAC Name: sodium 2-(2-methylpropyl)-2-sulfobutanedioate Traditional Name: sodium 2-isobutyl-2-sulfo-succinate Formula: C8H12NaO7S- MolecularWeight: 275.23145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14O7S.Na/c1-5(2)3-8(7(11)12,4-6(9)10)16(13,14)15;/h5H,3-4H2,1-2H3,(H,9,10)(H,11,12)(H,13,14,15);/q;+1/p-2