1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; 2,4,6-trinitrophenol

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; 2,4,6-trinitrophenol Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; picric acid CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; 2,4,6-trinitrophenol IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; 2,4,6-trinitrophenol Traditional Name: 6,7-dimethoxy-1-veratryl-isoquinoline; picric acid Formula: C26H24N4O11 MolecularWeight: 568.48896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H21NO4.C6H3N3O7/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-8,10-12H,9H2,1-4H3;1-2,10H