1,3-bis[3-(dibutylamino)propyl]-9-oxidanyl-phenanthrene-2,7-dicarboxylate dihydrochloride

Systemtic Name: 1,3-bis[3-(dibutylamino)propyl]-9-oxidanyl-phenanthrene-2,7-dicarboxylate dihydrochloride Openeye Name: 1,3-bis[3-(dibutylamino)propyl]-9-hydroxy-phenanthrene-2,7-dicarboxylate dihydrochloride CAS Name: 1,3-bis[3-(dibutylamino)propyl]-9-hydroxyphenanthrene-2,7-dicarboxylate dihydrochloride IUPAC Name: 1,3-bis[3-(dibutylamino)propyl]-9-hydroxyphenanthrene-2,7-dicarboxylate dihydrochloride Traditional Name: 1,3-bis[3-(dibutylamino)propyl]-9-hydroxy-phenanthrene-2,7-dicarboxylate dihydrochloride Formula: C38H56Cl2N2O5-2 MolecularWeight: 691.76764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCC1=C(C(=C2C=C(C3=C(C2=C1)C=CC(=C3)C(=O)[O-])O)CCCN(CCCC)CCCC)C(=O)[O-].Cl.Cl

Isomeric SMILES

CCCCN(CCCC)CCCC1=C(C(=C2C=C(C3=C(C2=C1)C=CC(=C3)C(=O)[O-])O)CCCN(CCCC)CCCC)C(=O)[O-].Cl.Cl

InChI

InChI=1S/C38H56N2O5.2ClH/c1-5-9-19-39(20-10-6-2)23-13-15-28-25-32-30-18-17-29(37(42)43)26-34(30)35(41)27-33(32)31(36(28)38(44)45)16-14-24-40(21-11-7-3)22-12-8-4;;/h17-18,25-27,41H,5-16,19-24H2,1-4H3,(H,42,43)(H,44,45);2*1H/p-2