sodium 3,3-dimethyl-1-(2-phenoxyethoxy)octane-2-sulfonate

Systemtic Name: sodium 3,3-dimethyl-1-(2-phenoxyethoxy)octane-2-sulfonate Openeye Name: sodium 3,3-dimethyl-1-(2-phenoxyethoxy)octane-2-sulfonate CAS Name: sodium 3,3-dimethyl-1-(2-phenoxyethoxy)-2-octanesulfonate IUPAC Name: sodium 3,3-dimethyl-1-(2-phenoxyethoxy)octane-2-sulfonate Traditional Name: sodium 3,3-dimethyl-1-(2-phenoxyethoxy)octane-2-sulfonate Formula: C18H29NaO5S MolecularWeight: 380.47463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C(COCCOC1=CC=CC=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCC(C)(C)C(COCCOC1=CC=CC=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H30O5S.Na/c1-4-5-9-12-18(2,3)17(24(19,20)21)15-22-13-14-23-16-10-7-6-8-11-16;/h6-8,10-11,17H,4-5,9,12-15H2,1-3H3,(H,19,20,21);/q;+1/p-1