6,7-dimethoxy-2-[3-(4-nitro-3,5-ditritio-phenoxy)propyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6,7-dimethoxy-2-[3-(4-nitro-3,5-ditritio-phenoxy)propyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-dimethoxy-2-[3-(4-nitro-3,5-ditritio-phenoxy)propyl]-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethoxy-2-[3-(4-nitro-3,5-ditritiophenoxy)propyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-2-[3-(4-nitro-3,5-ditritiophenoxy)propyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-dimethoxy-2-[3-(4-nitro-3,5-ditritio-phenoxy)propyl]-3,4-dihydro-1H-isoquinoline Formula: C20H24N2O5 MolecularWeight: 376.431179

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CCCOC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

[3H]C1=CC(=CC(=C1[N+](=O)[O-])[3H])OCCCN2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C20H24N2O5/c1-25-19-12-15-8-10-21(14-16(15)13-20(19)26-2)9-3-11-27-18-6-4-17(5-7-18)22(23)24/h4-7,12-13H,3,8-11,14H2,1-2H3/i4T,5T