sodium [2-(4-chloranylphenoxy)-2-phenyl-ethyl] sulfate

Systemtic Name: sodium [2-(4-chloranylphenoxy)-2-phenyl-ethyl] sulfate Openeye Name: sodium [2-(4-chlorophenoxy)-2-phenyl-ethyl] sulfate CAS Name: sodium [2-(4-chlorophenoxy)-2-phenylethyl] sulfate IUPAC Name: sodium [2-(4-chlorophenoxy)-2-phenylethyl] sulfate Traditional Name: sodium [2-(4-chlorophenoxy)-2-phenyl-ethyl] sulfate Formula: C14H12ClNaO5S MolecularWeight: 350.74985

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(COS(=O)(=O)[O-])OC2=CC=C(C=C2)Cl.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(COS(=O)(=O)[O-])OC2=CC=C(C=C2)Cl.[Na+]

InChI

InChI=1S/C14H13ClO5S.Na/c15-12-6-8-13(9-7-12)20-14(10-19-21(16,17)18)11-4-2-1-3-5-11;/h1-9,14H,10H2,(H,16,17,18);/q;+1/p-1