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

Systemtic Name: 4-[(E)-2-cyano-2-(phenylsulfonyl)ethenyl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-(benzenesulfonyl)-2-cyano-vinyl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-besyl-2-cyano-vinyl]-2-ethoxy-6-nitro-phenolate Formula: C17H13N2O6S- MolecularWeight: 373.35992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C(C#N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C(\C#N)/S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H14N2O6S/c1-2-25-16-10-12(9-15(17(16)20)19(21)22)8-14(11-18)26(23,24)13-6-4-3-5-7-13/h3-10,20H,2H2,1H3/p-1/b14-8+