(2,6-dimethylphenyl) 2,4,6-trimethyl-3-nitro-benzenesulfonate

Systemtic Name: (2,6-dimethylphenyl) 2,4,6-trimethyl-3-nitro-benzenesulfonate Openeye Name: (2,6-dimethylphenyl) 2,4,6-trimethyl-3-nitro-benzenesulfonate CAS Name: 2,4,6-trimethyl-3-nitrobenzenesulfonic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 2,4,6-trimethyl-3-nitrobenzenesulfonate Traditional Name: 2,4,6-trimethyl-3-nitro-benzenesulfonic acid (2,6-dimethylphenyl) ester Formula: C17H19NO5S MolecularWeight: 349.40146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OS(=O)(=O)C2=C(C=C(C(=C2C)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OS(=O)(=O)C2=C(C=C(C(=C2C)[N+](=O)[O-])C)C

InChI

InChI=1S/C17H19NO5S/c1-10-7-6-8-11(2)16(10)23-24(21,22)17-13(4)9-12(3)15(14(17)5)18(19)20/h6-9H,1-5H3