sodium propan-2-yl 4-ethyl-2,5-dimethyl-hexane-3-sulfonate

Systemtic Name: sodium propan-2-yl 4-ethyl-2,5-dimethyl-hexane-3-sulfonate Openeye Name: sodium isopropyl 4-ethyl-2,5-dimethyl-hexane-3-sulfonate CAS Name: sodium 4-ethyl-2,5-dimethyl-3-hexanesulfonic acid IUPAC Name: sodium propan-2-yl 4-ethyl-2,5-dimethylhexane-3-sulfonate Traditional Name: sodium 4-ethyl-2,5-dimethyl-hexane-3-sulfonic acid isopropyl ester Formula: C13H28NaO3S+ MolecularWeight: 287.41439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C)C(C(C)C)S(=O)(=O)OC(C)C.[Na+]

Isomeric SMILES

CCC(C(C)C)C(C(C)C)S(=O)(=O)OC(C)C.[Na+]

InChI

InChI=1S/C13H28O3S.Na/c1-8-12(9(2)3)13(10(4)5)17(14,15)16-11(6)7;/h9-13H,8H2,1-7H3;/q;+1