trisodium 2-dodecoxy-2-sulfo-butanedioate

Systemtic Name: trisodium 2-dodecoxy-2-sulfo-butanedioate Openeye Name: trisodium 2-dodecoxy-2-sulfo-butanedioate CAS Name: trisodium 2-dodecoxy-2-sulfobutanedioate IUPAC Name: trisodium 2-dodecoxy-2-sulfobutanedioate Traditional Name: trisodium 2-lauryloxy-2-sulfo-succinate Formula: C16H28Na3O8S+ MolecularWeight: 449.42303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30O8S.3Na/c1-2-3-4-5-6-7-8-9-10-11-12-24-16(15(19)20,13-14(17)18)25(21,22)23;;;/h2-13H2,1H3,(H,17,18)(H,19,20)(H,21,22,23);;;/q;3*+1/p-2