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

Systemtic Name: (2,4,6-trimethylphenyl) 2,4,6-trimethyl-3-nitro-benzenesulfonate Openeye Name: (2,4,6-trimethylphenyl) 2,4,6-trimethyl-3-nitro-benzenesulfonate CAS Name: 2,4,6-trimethyl-3-nitrobenzenesulfonic acid (2,4,6-trimethylphenyl) ester IUPAC Name: (2,4,6-trimethylphenyl) 2,4,6-trimethyl-3-nitrobenzenesulfonate Traditional Name: 2,4,6-trimethyl-3-nitro-benzenesulfonic acid mesityl ester Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO5S/c1-10-7-12(3)17(13(4)8-10)24-25(22,23)18-14(5)9-11(2)16(15(18)6)19(20)21/h7-9H,1-6H3