sodium 2-(2-methyloctan-2-yl)-2-sulfo-butanedioate

Systemtic Name: sodium 2-(2-methyloctan-2-yl)-2-sulfo-butanedioate Openeye Name: sodium 2-(1,1-dimethylheptyl)-2-sulfo-butanedioate CAS Name: sodium 2-(2-methyloctan-2-yl)-2-sulfobutanedioate IUPAC Name: sodium 2-(2-methyloctan-2-yl)-2-sulfobutanedioate Traditional Name: sodium 2-(1,1-dimethylheptyl)-2-sulfo-succinate Formula: C13H22NaO7S- MolecularWeight: 345.36435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24O7S.Na/c1-4-5-6-7-8-12(2,3)13(11(16)17,9-10(14)15)21(18,19)20;/h4-9H2,1-3H3,(H,14,15)(H,16,17)(H,18,19,20);/q;+1/p-2