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

Systemtic Name: sodium 2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanesulfonate Openeye Name: sodium 2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethanesulfonate CAS Name: sodium 2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanesulfonate IUPAC Name: sodium 2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanesulfonate Traditional Name: sodium 2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethanesulfonate Formula: C18H29NaO5S MolecularWeight: 380.47463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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