sodium 6-[(4-cyano-2-fluoranyl-phenyl)methoxy]naphthalene-2-sulfonate

Systemtic Name: sodium 6-[(4-cyano-2-fluoranyl-phenyl)methoxy]naphthalene-2-sulfonate Openeye Name: sodium 6-[(4-cyano-2-fluoro-phenyl)methoxy]naphthalene-2-sulfonate CAS Name: sodium 6-[(4-cyano-2-fluorophenyl)methoxy]-2-naphthalenesulfonate IUPAC Name: sodium 6-[(4-cyano-2-fluorophenyl)methoxy]naphthalene-2-sulfonate Traditional Name: sodium 6-(4-cyano-2-fluoro-benzyl)oxynaphthalene-2-sulfonate Formula: C18H11FNNaO4S MolecularWeight: 379.337413

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)F)COC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1C#N)F)COC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H12FNO4S.Na/c19-18-7-12(10-20)1-2-15(18)11-24-16-5-3-14-9-17(25(21,22)23)6-4-13(14)8-16;/h1-9H,11H2,(H,21,22,23);/q;+1/p-1