(1S)-6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline; 2,4,6-trinitrophenol

Systemtic Name: (1S)-6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline; 2,4,6-trinitrophenol Openeye Name: (1S)-6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline; picric acid CAS Name: (1S)-6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline; 2,4,6-trinitrophenol IUPAC Name: (1S)-6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline; 2,4,6-trinitrophenol Traditional Name: (1S)-6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline; picric acid Formula: C19H22N4O9 MolecularWeight: 450.39938

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1C)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=C2CCN1C)OC)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H19NO2.C6H3N3O7/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h7-9H,5-6H2,1-4H3;1-2,10H/t9-;/m0./s1