sodium 2,3-bis(4-methylpentan-2-yl)-2-sulfo-butanedioate

Systemtic Name: sodium 2,3-bis(4-methylpentan-2-yl)-2-sulfo-butanedioate Openeye Name: sodium 2,3-bis(1,3-dimethylbutyl)-2-sulfo-butanedioate CAS Name: sodium 2,3-bis(4-methylpentan-2-yl)-2-sulfobutanedioate IUPAC Name: sodium 2,3-bis(4-methylpentan-2-yl)-2-sulfobutanedioate Traditional Name: sodium 2,3-bis(1,3-dimethylbutyl)-2-sulfo-succinate Formula: C16H28NaO7S- MolecularWeight: 387.44409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30O7S.Na/c1-9(2)7-11(5)13(14(17)18)16(15(19)20,24(21,22)23)12(6)8-10(3)4;/h9-13H,7-8H2,1-6H3,(H,17,18)(H,19,20)(H,21,22,23);/q;+1/p-2