1-tert-butyl-3-methyl-azetidin-3-ol; 2,4,6-trinitrophenol

Systemtic Name: 1-tert-butyl-3-methyl-azetidin-3-ol; 2,4,6-trinitrophenol Openeye Name: 1-tert-butyl-3-methyl-azetidin-3-ol; picric acid CAS Name: 1-tert-butyl-3-methyl-3-azetidinol; 2,4,6-trinitrophenol IUPAC Name: 1-tert-butyl-3-methylazetidin-3-ol; 2,4,6-trinitrophenol Traditional Name: 1-tert-butyl-3-methyl-azetidin-3-ol; picric acid Formula: C14H20N4O8 MolecularWeight: 372.3306

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C1)C(C)(C)C)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1(CN(C1)C(C)(C)C)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H17NO.C6H3N3O7/c1-7(2,3)9-5-8(4,10)6-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h10H,5-6H2,1-4H3;1-2,10H