2,4,6-trimethyl-3-nitro-benzenesulfonic acid

Systemtic Name: 2,4,6-trimethyl-3-nitro-benzenesulfonic acid Openeye Name: 2,4,6-trimethyl-3-nitro-benzenesulfonic acid CAS Name: 2,4,6-trimethyl-3-nitrobenzenesulfonic acid IUPAC Name: 2,4,6-trimethyl-3-nitrobenzenesulfonic acid Traditional Name: 2,4,6-trimethyl-3-nitro-besylic acid Formula: C9H11NO5S MolecularWeight: 245.25234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO5S/c1-5-4-6(2)9(16(13,14)15)7(3)8(5)10(11)12/h4H,1-3H3,(H,13,14,15)