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

Systemtic Name: 4-[(E)-2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-2-(p-tolylsulfonyl)vinyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-2-(4-methylphenyl)sulfonylethenyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-2-(4-methylphenyl)sulfonylethenyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-2-tosyl-vinyl]-2-methoxy-6-nitro-phenolate Formula: C17H13N2O6S- MolecularWeight: 373.35992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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