3,5-ditert-butyl-2-nitro-benzoic acid

Systemtic Name: 3,5-ditert-butyl-2-nitro-benzoic acid Openeye Name: 3,5-ditert-butyl-2-nitro-benzoic acid CAS Name: 3,5-ditert-butyl-2-nitrobenzoic acid IUPAC Name: 3,5-ditert-butyl-2-nitrobenzoic acid Traditional Name: 3,5-ditert-butyl-2-nitro-benzoic acid Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4/c1-14(2,3)9-7-10(13(17)18)12(16(19)20)11(8-9)15(4,5)6/h7-8H,1-6H3,(H,17,18)