trisodium 2-hexadecoxy-3-sulfo-butanedioate

Systemtic Name: trisodium 2-hexadecoxy-3-sulfo-butanedioate Openeye Name: trisodium 2-hexadecoxy-3-sulfo-butanedioate CAS Name: trisodium 2-hexadecoxy-3-sulfobutanedioate IUPAC Name: trisodium 2-hexadecoxy-3-sulfobutanedioate Traditional Name: trisodium 2-cetyloxy-3-sulfo-succinate Formula: C20H36Na3O8S+ MolecularWeight: 505.52935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H38O8S.3Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-28-17(19(21)22)18(20(23)24)29(25,26)27;;;/h17-18H,2-16H2,1H3,(H,21,22)(H,23,24)(H,25,26,27);;;/q;3*+1/p-2