1-[(3,4-dimethoxyphenyl)methyl]-6,8-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; 2,4,6-trinitrophenol

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,8-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; 2,4,6-trinitrophenol Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,8-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; picric acid CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,8-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; 2,4,6-trinitrophenol IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,8-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; 2,4,6-trinitrophenol Traditional Name: 6,8-dimethoxy-2-methyl-1-veratryl-3,4-dihydro-1H-isoquinolin-7-ol; picric acid Formula: C27H30N4O12 MolecularWeight: 602.5467

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H27NO5.C6H3N3O7/c1-22-9-8-14-12-18(26-4)20(23)21(27-5)19(14)15(22)10-13-6-7-16(24-2)17(11-13)25-3;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-7,11-12,15,23H,8-10H2,1-5H3;1-2,10H