5-methyl-3-nitro-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 5-methyl-3-nitro-2-oxidanyl-benzenesulfonic acid Openeye Name: 2-hydroxy-5-methyl-3-nitro-benzenesulfonic acid CAS Name: 2-hydroxy-5-methyl-3-nitrobenzenesulfonic acid IUPAC Name: 2-hydroxy-5-methyl-3-nitrobenzenesulfonic acid Traditional Name: 2-hydroxy-5-methyl-3-nitro-besylic acid Formula: C7H7NO6S MolecularWeight: 233.19858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO6S/c1-4-2-5(8(10)11)7(9)6(3-4)15(12,13)14/h2-3,9H,1H3,(H,12,13,14)