3-methyl-4-nitro-benzenesulfonic acid

Systemtic Name: 3-methyl-4-nitro-benzenesulfonic acid Openeye Name: 3-methyl-4-nitro-benzenesulfonic acid CAS Name: 3-methyl-4-nitrobenzenesulfonic acid IUPAC Name: 3-methyl-4-nitrobenzenesulfonic acid Traditional Name: 3-methyl-4-nitro-besylic acid Formula: C7H7NO5S MolecularWeight: 217.19918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO5S/c1-5-4-6(14(11,12)13)2-3-7(5)8(9)10/h2-4H,1H3,(H,11,12,13)