sodium 2-(2-ethylhexyl)-2-sulfonato-butanedioate

Systemtic Name: sodium 2-(2-ethylhexyl)-2-sulfonato-butanedioate Openeye Name: sodium 2-(2-ethylhexyl)-2-sulfonato-butanedioate CAS Name: sodium 2-(2-ethylhexyl)-2-sulfonatobutanedioate IUPAC Name: sodium 2-(2-ethylhexyl)-2-sulfonatobutanedioate Traditional Name: sodium 2-(2-ethylhexyl)-2-sulfonato-succinate Formula: C24H38NaO14S2-5 MolecularWeight: 637.66989

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/2C12H22O7S.Na/c2*1-3-5-6-9(4-2)7-12(11(15)16,8-10(13)14)20(17,18)19;/h2*9H,3-8H2,1-2H3,(H,13,14)(H,15,16)(H,17,18,19);/q;;+1/p-6