sodium 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanesulfonate

Systemtic Name: sodium 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanesulfonate Openeye Name: sodium 2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethanesulfonate CAS Name: sodium 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanesulfonate IUPAC Name: sodium 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanesulfonate Traditional Name: sodium 2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethanesulfonate Formula: C16H25NaO4S MolecularWeight: 336.42207

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26O4S.Na/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)20-10-11-21(17,18)19;/h6-9H,10-12H2,1-5H3,(H,17,18,19);/q;+1/p-1