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

Systemtic Name: sodium 1,2-diethoxy-1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanesulfonate Openeye Name: sodium 1,2-diethoxy-1-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethanesulfonate CAS Name: sodium 1,2-diethoxy-1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanesulfonate IUPAC Name: sodium 1,2-diethoxy-1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanesulfonate Traditional Name: sodium 1,2-diethoxy-1-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethanesulfonate Formula: C20H33NaO6S MolecularWeight: 424.52719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34O6S.Na/c1-8-24-15-20(25-9-2,27(21,22)23)26-17-12-10-16(11-13-17)19(6,7)14-18(3,4)5;/h10-13H,8-9,14-15H2,1-7H3,(H,21,22,23);/q;+1/p-1