6-methoxy-1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline; 2,4,6-trinitrophenol

Systemtic Name: 6-methoxy-1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline; 2,4,6-trinitrophenol Openeye Name: 7-benzyloxy-1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline; picric acid CAS Name: 6-methoxy-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline; 2,4,6-trinitrophenol IUPAC Name: 6-methoxy-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline; 2,4,6-trinitrophenol Traditional Name: 7-benzoxy-1-(3-benzoxy-4-methoxy-benzyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline; picric acid Formula: C39H38N4O11 MolecularWeight: 738.73922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C33H35NO4.C6H3N3O7/c1-34-17-16-27-20-31(36-3)33(38-23-25-12-8-5-9-13-25)21-28(27)29(34)18-26-14-15-30(35-2)32(19-26)37-22-24-10-6-4-7-11-24;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-15,19-21,29H,16-18,22-23H2,1-3H3;1-2,10H