(4-tert-butylphenyl) 4-(2-chloranyl-6-nitro-phenoxy)benzenesulfonate

Systemtic Name: (4-tert-butylphenyl) 4-(2-chloranyl-6-nitro-phenoxy)benzenesulfonate Openeye Name: (4-tert-butylphenyl) 4-(2-chloro-6-nitro-phenoxy)benzenesulfonate CAS Name: 4-(2-chloro-6-nitrophenoxy)benzenesulfonic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 4-(2-chloro-6-nitrophenoxy)benzenesulfonate Traditional Name: 4-(2-chloro-6-nitro-phenoxy)benzenesulfonic acid (4-tert-butylphenyl) ester Formula: C22H20ClNO6S MolecularWeight: 461.9153

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)OC3=C(C=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)OC3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H20ClNO6S/c1-22(2,3)15-7-9-17(10-8-15)30-31(27,28)18-13-11-16(12-14-18)29-21-19(23)5-4-6-20(21)24(25)26/h4-14H,1-3H3