(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline; 2,4,6-trinitrophenol

Systemtic Name: (1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline; 2,4,6-trinitrophenol Openeye Name: (1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline; picric acid CAS Name: (1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline; 2,4,6-trinitrophenol IUPAC Name: (1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline; 2,4,6-trinitrophenol Traditional Name: (1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline; picric acid Formula: C18H20N4O9 MolecularWeight: 436.3728

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1)OC)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1C2=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/C12H17NO2.C6H3N3O7/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-8,13H,4-5H2,1-3H3;1-2,10H/t8-;/m1./s1