3-methyl-5-nitro-4-oxidanyl-benzenesulfonic acid

Systemtic Name: 3-methyl-5-nitro-4-oxidanyl-benzenesulfonic acid Openeye Name: 4-hydroxy-3-methyl-5-nitro-benzenesulfonic acid CAS Name: 4-hydroxy-3-methyl-5-nitrobenzenesulfonic acid IUPAC Name: 4-hydroxy-3-methyl-5-nitrobenzenesulfonic acid Traditional Name: 4-hydroxy-3-methyl-5-nitro-besylic acid Formula: C7H7NO6S MolecularWeight: 233.19858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1O)[N+](=O)[O-])S(=O)(=O)O

InChI

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