5-tert-butyl-2-methyl-3-nitro-6-oxidanyl-benzoic acid

Systemtic Name: 5-tert-butyl-2-methyl-3-nitro-6-oxidanyl-benzoic acid Openeye Name: 3-tert-butyl-2-hydroxy-6-methyl-5-nitro-benzoic acid CAS Name: 3-tert-butyl-2-hydroxy-6-methyl-5-nitrobenzoic acid IUPAC Name: 3-tert-butyl-2-hydroxy-6-methyl-5-nitrobenzoic acid Traditional Name: 3-tert-butyl-2-hydroxy-6-methyl-5-nitro-benzoic acid Formula: C12H15NO5 MolecularWeight: 253.2512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(=O)O)O)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C(=C1C(=O)O)O)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C12H15NO5/c1-6-8(13(17)18)5-7(12(2,3)4)10(14)9(6)11(15)16/h5,14H,1-4H3,(H,15,16)