(2-nitrophenyl) 2,4,6-trimethylbenzenesulfonate

Systemtic Name: (2-nitrophenyl) 2,4,6-trimethylbenzenesulfonate Openeye Name: (2-nitrophenyl) 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid (2-nitrophenyl) ester IUPAC Name: (2-nitrophenyl) 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid (2-nitrophenyl) ester Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO5S/c1-10-8-11(2)15(12(3)9-10)22(19,20)21-14-7-5-4-6-13(14)16(17)18/h4-9H,1-3H3