4-[(E)-2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-2-(p-tolylsulfonyl)vinyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-cyano-2-(4-methylphenyl)sulfonylethenyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-2-(4-methylphenyl)sulfonylethenyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-cyano-2-tosyl-vinyl]-2-nitro-phenolate Formula: C16H11N2O5S- MolecularWeight: 343.33394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC(=C(C=C2)[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C16H12N2O5S/c1-11-2-5-13(6-3-11)24(22,23)14(10-17)8-12-4-7-16(19)15(9-12)18(20)21/h2-9,19H,1H3/p-1/b14-8+