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

Systemtic Name: 2-(2,4-dihexylphenoxy)ethyl hydrogen sulfate Openeye Name: 2-(2,4-dihexylphenoxy)ethyl hydrogen sulfate CAS Name: sulfuric acid 2-(2,4-dihexylphenoxy)ethyl ester IUPAC Name: 2-(2,4-dihexylphenoxy)ethyl hydrogen sulfate Traditional Name: sulfuric acid 2-(2,4-dihexylphenoxy)ethyl ester Formula: C20H34O5S MolecularWeight: 386.54596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)OCCOS(=O)(=O)O)CCCCCC

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)OCCOS(=O)(=O)O)CCCCCC

InChI

InChI=1S/C20H34O5S/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)