7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol; 2,4,6-trinitrophenol

Systemtic Name: 7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol; 2,4,6-trinitrophenol Openeye Name: 7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol; picric acid CAS Name: 7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol; 2,4,6-trinitrophenol IUPAC Name: 7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol; 2,4,6-trinitrophenol Traditional Name: 7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol; picric acid Formula: C16H16N4O9 MolecularWeight: 408.31964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCNCC2=C1)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C2CCNCC2=C1)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H13NO2.C6H3N3O7/c1-13-10-5-8-6-11-3-2-7(8)4-9(10)12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-5,11-12H,2-3,6H2,1H3;1-2,10H