sodium 4-octylphenol sulfate

Systemtic Name: sodium 4-octylphenol sulfate Openeye Name: sodium 4-octylphenol sulfate CAS Name: sodium 4-octylphenol sulfate IUPAC Name: sodium 4-octylphenol sulfate Traditional Name: sodium 4-octylphenol sulfate Formula: C14H22NaO5S- MolecularWeight: 325.37625

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)O.[O-]S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)O.[O-]S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H22O.Na.H2O4S/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13;;1-5(2,3)4/h9-12,15H,2-8H2,1H3;;(H2,1,2,3,4)/q;+1;/p-2