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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30O5S.Na/c1-4-5-6-11-18(2,3)16-7-9-17(10-8-16)23-13-12-22-14-15-24(19,20)21;/h7-10H,4-6,11-15H2,1-3H3,(H,19,20,21);/q;+1/p-1