4-[(E)-2-cyano-2-(phenylsulfonyl)ethenyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-2-cyano-2-(phenylsulfonyl)ethenyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-(benzenesulfonyl)-2-cyano-vinyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-besyl-2-cyano-vinyl]-2-methoxy-6-nitro-phenolate Formula: C16H11N2O6S- MolecularWeight: 359.33334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C(C#N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C(\C#N)/S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H12N2O6S/c1-24-15-9-11(8-14(16(15)19)18(20)21)7-13(10-17)25(22,23)12-5-3-2-4-6-12/h2-9,19H,1H3/p-1/b13-7+