(2,3-dimethylphenyl) 2,3-dimethyl-5-nitro-benzenesulfonate

Systemtic Name: (2,3-dimethylphenyl) 2,3-dimethyl-5-nitro-benzenesulfonate Openeye Name: (2,3-dimethylphenyl) 2,3-dimethyl-5-nitro-benzenesulfonate CAS Name: 2,3-dimethyl-5-nitrobenzenesulfonic acid (2,3-dimethylphenyl) ester IUPAC Name: (2,3-dimethylphenyl) 2,3-dimethyl-5-nitrobenzenesulfonate Traditional Name: 2,3-dimethyl-5-nitro-benzenesulfonic acid (2,3-dimethylphenyl) ester Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO5S/c1-10-6-5-7-15(12(10)3)22-23(20,21)16-9-14(17(18)19)8-11(2)13(16)4/h5-9H,1-4H3