sodium (2-phenoxy-1-phenyl-ethyl) sulfate

Systemtic Name: sodium (2-phenoxy-1-phenyl-ethyl) sulfate Openeye Name: sodium (2-phenoxy-1-phenyl-ethyl) sulfate CAS Name: sodium (2-phenoxy-1-phenylethyl) sulfate IUPAC Name: sodium (2-phenoxy-1-phenylethyl) sulfate Traditional Name: sodium (2-phenoxy-1-phenyl-ethyl) sulfate Formula: C14H13NaO5S MolecularWeight: 316.30479

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(COC2=CC=CC=C2)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(COC2=CC=CC=C2)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H14O5S.Na/c15-20(16,17)19-14(12-7-3-1-4-8-12)11-18-13-9-5-2-6-10-13;/h1-10,14H,11H2,(H,15,16,17);/q;+1/p-1