3,5-ditert-butyl-4-oxidanyl-benzoic acid; 7-nitro-1H-indazole

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzoic acid; 7-nitro-1H-indazole Openeye Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid; 7-nitro-1H-indazole CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid; 7-nitro-1H-indazole IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzoic acid; 7-nitro-1H-indazole Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid; 7-nitro-1H-indazole Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)O.C1=CC2=C(C(=C1)[N+](=O)[O-])NN=C2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)O.C1=CC2=C(C(=C1)[N+](=O)[O-])NN=C2

InChI

InChI=1S/C15H22O3.C7H5N3O2/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6;11-10(12)6-3-1-2-5-4-8-9-7(5)6/h7-8,16H,1-6H3,(H,17,18);1-4H,(H,8,9)