1-tert-butyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline; 2,4,6-trinitrophenol

Systemtic Name: 1-tert-butyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline; 2,4,6-trinitrophenol Openeye Name: 1-tert-butyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline; picric acid CAS Name: 1-tert-butyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline; 2,4,6-trinitrophenol IUPAC Name: 1-tert-butyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline; 2,4,6-trinitrophenol Traditional Name: 1-tert-butyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline; picric acid Formula: C21H26N4O9 MolecularWeight: 478.45254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C2=CC(=C(C=C2CCN1)OC)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1C2=CC(=C(C=C2CCN1)OC)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H23NO2.C6H3N3O7/c1-15(2,3)14-11-9-13(18-5)12(17-4)8-10(11)6-7-16-14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h8-9,14,16H,6-7H2,1-5H3;1-2,10H