1,3-bis[3-(dibutylamino)propyl]dibenzofuran-2,8-dicarboxylate dihydrochloride

Systemtic Name: 1,3-bis[3-(dibutylamino)propyl]dibenzofuran-2,8-dicarboxylate dihydrochloride Openeye Name: 1,3-bis[3-(dibutylamino)propyl]dibenzofuran-2,8-dicarboxylate dihydrochloride CAS Name: 1,3-bis[3-(dibutylamino)propyl]dibenzofuran-2,8-dicarboxylate dihydrochloride IUPAC Name: 1,3-bis[3-(dibutylamino)propyl]dibenzofuran-2,8-dicarboxylate dihydrochloride Traditional Name: 1,3-bis[3-(dibutylamino)propyl]dibenzofuran-2,8-dicarboxylate dihydrochloride Formula: C36H54Cl2N2O5-2 MolecularWeight: 665.73036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCC1=CC2=C(C3=C(O2)C=CC(=C3)C(=O)[O-])C(=C1C(=O)[O-])CCCN(CCCC)CCCC.Cl.Cl

Isomeric SMILES

CCCCN(CCCC)CCCC1=CC2=C(C3=C(O2)C=CC(=C3)C(=O)[O-])C(=C1C(=O)[O-])CCCN(CCCC)CCCC.Cl.Cl

InChI

InChI=1S/C36H54N2O5.2ClH/c1-5-9-19-37(20-10-6-2)23-13-15-27-26-32-34(30-25-28(35(39)40)17-18-31(30)43-32)29(33(27)36(41)42)16-14-24-38(21-11-7-3)22-12-8-4;;/h17-18,25-26H,5-16,19-24H2,1-4H3,(H,39,40)(H,41,42);2*1H/p-2