6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline; 2,4,6-trinitrophenol

Systemtic Name: 6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline; 2,4,6-trinitrophenol Openeye Name: picric acid; 6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline; 2,4,6-trinitrophenol IUPAC Name: 6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline; 2,4,6-trinitrophenol Traditional Name: picric acid; 6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline Formula: C18H20N4O10 MolecularWeight: 452.3722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2CNCCC2=C1)OC)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=C2CNCCC2=C1)OC)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H17NO3.C6H3N3O7/c1-14-10-6-8-4-5-13-7-9(8)11(15-2)12(10)16-3;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6,13H,4-5,7H2,1-3H3;1-2,10H