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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,8-dimethoxy-2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline; 2,4,6-trinitrophenol Openeye Name: 7-benzyloxy-1-[(3,4-dimethoxyphenyl)methyl]-6,8-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline; picric acid CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,8-dimethoxy-2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline; 2,4,6-trinitrophenol IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,8-dimethoxy-2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline; 2,4,6-trinitrophenol Traditional Name: 7-benzoxy-6,8-dimethoxy-2-methyl-1-veratryl-3,4-dihydro-1H-isoquinoline; picric acid Formula: C34H36N4O12 MolecularWeight: 692.66924

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H33NO5.C6H3N3O7/c1-29-14-13-21-17-25(32-4)27(34-18-19-9-7-6-8-10-19)28(33-5)26(21)22(29)15-20-11-12-23(30-2)24(16-20)31-3;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-12,16-17,22H,13-15,18H2,1-5H3;1-2,10H