2-methyl-5-nitro-benzenesulfonic acid

Systemtic Name: 2-methyl-5-nitro-benzenesulfonic acid Openeye Name: 2-methyl-5-nitro-benzenesulfonic acid CAS Name: 2-methyl-5-nitrobenzenesulfonic acid IUPAC Name: 2-methyl-5-nitrobenzenesulfonic acid Traditional Name: 2-methyl-5-nitro-besylic acid Formula: C7H7NO5S MolecularWeight: 217.19918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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