sodium 4-[2-[2-[2-(3-ethyl-5-methyl-4-nonyl-phenoxy)ethoxy]ethoxy]ethoxy]butane-1-sulfonate

Systemtic Name: sodium 4-[2-[2-[2-(3-ethyl-5-methyl-4-nonyl-phenoxy)ethoxy]ethoxy]ethoxy]butane-1-sulfonate Openeye Name: sodium 4-[2-[2-[2-(3-ethyl-5-methyl-4-nonyl-phenoxy)ethoxy]ethoxy]ethoxy]butane-1-sulfonate CAS Name: sodium 4-[2-[2-[2-(3-ethyl-5-methyl-4-nonylphenoxy)ethoxy]ethoxy]ethoxy]-1-butanesulfonate IUPAC Name: sodium 4-[2-[2-[2-(3-ethyl-5-methyl-4-nonylphenoxy)ethoxy]ethoxy]ethoxy]butane-1-sulfonate Traditional Name: sodium 4-[2-[2-[2-(3-ethyl-5-methyl-4-nonyl-phenoxy)ethoxy]ethoxy]ethoxy]butane-1-sulfonate Formula: C28H49NaO7S MolecularWeight: 552.73923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C=C(C=C1C)OCCOCCOCCOCCCCS(=O)(=O)[O-])CC.[Na+]

Isomeric SMILES

CCCCCCCCCC1=C(C=C(C=C1C)OCCOCCOCCOCCCCS(=O)(=O)[O-])CC.[Na+]

InChI

InChI=1S/C28H50O7S.Na/c1-4-6-7-8-9-10-11-14-28-25(3)23-27(24-26(28)5-2)35-21-20-34-19-18-33-17-16-32-15-12-13-22-36(29,30)31;/h23-24H,4-22H2,1-3H3,(H,29,30,31);/q;+1/p-1