sodium phenyl nonanoate sulfate

Systemtic Name: sodium phenyl nonanoate sulfate Openeye Name: sodium phenyl nonanoate sulfate CAS Name: sodium nonanoic acid phenyl ester sulfate IUPAC Name: sodium phenyl nonanoate sulfate Traditional Name: sodium pelargonic acid phenyl ester sulfate Formula: C15H22NaO6S- MolecularWeight: 353.38635

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC=CC=C1.[O-]S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC=CC=C1.[O-]S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H22O2.Na.H2O4S/c1-2-3-4-5-6-10-13-15(16)17-14-11-8-7-9-12-14;;1-5(2,3)4/h7-9,11-12H,2-6,10,13H2,1H3;;(H2,1,2,3,4)/q;+1;/p-2