sodium 2-(2,4-dihexylphenoxy)ethyl sulfate

Systemtic Name: sodium 2-(2,4-dihexylphenoxy)ethyl sulfate Openeye Name: sodium 2-(2,4-dihexylphenoxy)ethyl sulfate CAS Name: sodium 2-(2,4-dihexylphenoxy)ethyl sulfate IUPAC Name: sodium 2-(2,4-dihexylphenoxy)ethyl sulfate Traditional Name: sodium 2-(2,4-dihexylphenoxy)ethyl sulfate Formula: C20H33NaO5S MolecularWeight: 408.52779

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)OCCOS(=O)(=O)[O-])CCCCCC.[Na+]

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)OCCOS(=O)(=O)[O-])CCCCCC.[Na+]

InChI

InChI=1S/C20H34O5S.Na/c1-3-5-7-9-11-18-13-14-20(24-15-16-25-26(21,22)23)19(17-18)12-10-8-6-4-2;/h13-14,17H,3-12,15-16H2,1-2H3,(H,21,22,23);/q;+1/p-1