sodium 3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propane-1-sulfonate

Systemtic Name: sodium 3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propane-1-sulfonate Openeye Name: sodium 3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propane-1-sulfonate CAS Name: sodium 3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1-propanesulfonate IUPAC Name: sodium 3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propane-1-sulfonate Traditional Name: sodium 3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propane-1-sulfonate Formula: C17H27NaO4S MolecularWeight: 350.44865

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H28O4S.Na/c1-16(2,3)13-17(4,5)14-7-9-15(10-8-14)21-11-6-12-22(18,19)20;/h7-10H,6,11-13H2,1-5H3,(H,18,19,20);/q;+1/p-1