sodium 4-[(2-methylpropan-2-yl)oxy]benzenesulfonate

Systemtic Name: sodium 4-[(2-methylpropan-2-yl)oxy]benzenesulfonate Openeye Name: sodium 4-tert-butoxybenzenesulfonate CAS Name: sodium 4-[(2-methylpropan-2-yl)oxy]benzenesulfonate IUPAC Name: sodium 4-[(2-methylpropan-2-yl)oxy]benzenesulfonate Traditional Name: sodium 4-tert-butoxybesylate Formula: C10H13NaO4S MolecularWeight: 252.26259

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C)OC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H14O4S.Na/c1-10(2,3)14-8-4-6-9(7-5-8)15(11,12)13;/h4-7H,1-3H3,(H,11,12,13);/q;+1/p-1