2,4-dimethyl-3-nitro-benzenesulfonic acid

Systemtic Name: 2,4-dimethyl-3-nitro-benzenesulfonic acid Openeye Name: 2,4-dimethyl-3-nitro-benzenesulfonic acid CAS Name: 2,4-dimethyl-3-nitrobenzenesulfonic acid IUPAC Name: 2,4-dimethyl-3-nitrobenzenesulfonic acid Traditional Name: 2,4-dimethyl-3-nitro-besylic acid Formula: C8H9NO5S MolecularWeight: 231.22576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9NO5S/c1-5-3-4-7(15(12,13)14)6(2)8(5)9(10)11/h3-4H,1-2H3,(H,12,13,14)