trisodium 2-dodecoxy-3-sulfo-butanedioate

Systemtic Name: trisodium 2-dodecoxy-3-sulfo-butanedioate Openeye Name: trisodium 2-dodecoxy-3-sulfo-butanedioate CAS Name: trisodium 2-dodecoxy-3-sulfobutanedioate IUPAC Name: trisodium 2-dodecoxy-3-sulfobutanedioate Traditional Name: trisodium 2-lauryloxy-3-sulfo-succinate Formula: C16H28Na3O8S+ MolecularWeight: 449.42303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30O8S.3Na/c1-2-3-4-5-6-7-8-9-10-11-12-24-13(15(17)18)14(16(19)20)25(21,22)23;;;/h13-14H,2-12H2,1H3,(H,17,18)(H,19,20)(H,21,22,23);;;/q;3*+1/p-2