(2-chloranyl-4-nitro-phenyl) 2,4,6-trimethylbenzenesulfonate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 2,4,6-trimethylbenzenesulfonate Openeye Name: (2-chloro-4-nitro-phenyl) 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid (2-chloro-4-nitro-phenyl) ester Formula: C15H14ClNO5S MolecularWeight: 355.79336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C15H14ClNO5S/c1-9-6-10(2)15(11(3)7-9)23(20,21)22-14-5-4-12(17(18)19)8-13(14)16/h4-8H,1-3H3