(4-cyano-2-methoxy-phenyl) 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 4-methyl-3-nitro-benzenesulfonate Openeye Name: (4-cyano-2-methoxy-phenyl) 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid (4-cyano-2-methoxy-phenyl) ester Formula: C15H12N2O6S MolecularWeight: 348.33058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C#N)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C#N)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O6S/c1-10-3-5-12(8-13(10)17(18)19)24(20,21)23-14-6-4-11(9-16)7-15(14)22-2/h3-8H,1-2H3