1-tert-butylnaphthalene; 2,4,6-trinitrophenol

Systemtic Name: 1-tert-butylnaphthalene; 2,4,6-trinitrophenol Openeye Name: 1-tert-butylnaphthalene; picric acid CAS Name: 1-tert-butylnaphthalene; 2,4,6-trinitrophenol IUPAC Name: 1-tert-butylnaphthalene; 2,4,6-trinitrophenol Traditional Name: 1-tert-butylnaphthalene; picric acid Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC2=CC=CC=C21.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=CC2=CC=CC=C21.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H16.C6H3N3O7/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-10H,1-3H3;1-2,10H