sodium 2-(2-butylphenyl)phenol sulfate

Systemtic Name: sodium 2-(2-butylphenyl)phenol sulfate Openeye Name: sodium 2-(2-butylphenyl)phenol sulfate CAS Name: sodium 2-(2-butylphenyl)phenol sulfate IUPAC Name: sodium 2-(2-butylphenyl)phenol sulfate Traditional Name: sodium 2-(2-butylphenyl)phenol sulfate Formula: C16H18NaO5S- MolecularWeight: 345.36589

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1C2=CC=CC=C2O.[O-]S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCC1=CC=CC=C1C2=CC=CC=C2O.[O-]S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H18O.Na.H2O4S/c1-2-3-8-13-9-4-5-10-14(13)15-11-6-7-12-16(15)17;;1-5(2,3)4/h4-7,9-12,17H,2-3,8H2,1H3;;(H2,1,2,3,4)/q;+1;/p-2