(2-chloranyl-4-nitro-phenyl) 4-tert-butyl-2,6-dimethyl-benzenesulfonate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 4-tert-butyl-2,6-dimethyl-benzenesulfonate Openeye Name: (2-chloro-4-nitro-phenyl) 4-tert-butyl-2,6-dimethyl-benzenesulfonate CAS Name: 4-tert-butyl-2,6-dimethylbenzenesulfonic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 4-tert-butyl-2,6-dimethylbenzenesulfonate Traditional Name: 4-tert-butyl-2,6-dimethyl-benzenesulfonic acid (2-chloro-4-nitro-phenyl) ester Formula: C18H20ClNO5S MolecularWeight: 397.8731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C)C(C)(C)C

InChI

InChI=1S/C18H20ClNO5S/c1-11-8-13(18(3,4)5)9-12(2)17(11)26(23,24)25-16-7-6-14(20(21)22)10-15(16)19/h6-10H,1-5H3