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sodium 1-[2-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanesulfonate

sodium 1-[2-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanesulfonate

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

Canonical SMILES:

CC(OC1=CC=CC=C1C(C)(C)CC(C)(C)C)S(=O)(=O)[O-].[Na+]


Isomeric SMILES

CC(OC1=CC=CC=C1C(C)(C)CC(C)(C)C)S(=O)(=O)[O-].[Na+]


InChI

InChI=1S/C16H26O4S.Na/c1-12(21(17,18)19)20-14-10-8-7-9-13(14)16(5,6)11-15(2,3)4;/h7-10,12H,11H2,1-6H3,(H,17,18,19);/q;+1/p-1


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