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

Systemtic Name: sodium 1-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanesulfonate Openeye Name: sodium 1-[1-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethanesulfonate CAS Name: sodium 1-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanesulfonate IUPAC Name: sodium 1-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanesulfonate Traditional Name: sodium 1-[1-[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(OC1=CC=C(C=C1)C(C)(C)CC(C)(C)C)OC(C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C18H30O5S.Na/c1-13(22-14(2)24(19,20)21)23-16-10-8-15(9-11-16)18(6,7)12-17(3,4)5;/h8-11,13-14H,12H2,1-7H3,(H,19,20,21);/q;+1/p-1