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

Systemtic Name: 4-[(E)-2-(4-chlorophenyl)sulfonyl-2-cyano-ethenyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-(4-chlorophenyl)sulfonyl-2-cyano-vinyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-(4-chlorophenyl)sulfonyl-2-cyanoethenyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-(4-chlorophenyl)sulfonyl-2-cyanoethenyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-(4-chlorophenyl)sulfonyl-2-cyano-vinyl]-2-methoxy-6-nitro-phenolate Formula: C16H10ClN2O6S- MolecularWeight: 393.7784

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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=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN2O6S/c1-25-15-8-10(7-14(16(15)20)19(21)22)6-13(9-18)26(23,24)12-4-2-11(17)3-5-12/h2-8,20H,1H3/p-1/b13-6+