1,3-bis[3-(dimethylamino)propyl]-9H-xanthene-2,7-dicarboxylate

Systemtic Name: 1,3-bis[3-(dimethylamino)propyl]-9H-xanthene-2,7-dicarboxylate Openeye Name: 1,3-bis[3-(dimethylamino)propyl]-9H-xanthene-2,7-dicarboxylate CAS Name: 1,3-bis[3-(dimethylamino)propyl]-9H-xanthene-2,7-dicarboxylate IUPAC Name: 1,3-bis[3-(dimethylamino)propyl]-9H-xanthene-2,7-dicarboxylate Traditional Name: 1,3-bis[3-(dimethylamino)propyl]-9H-xanthene-2,7-dicarboxylate Formula: C25H30N2O5-2 MolecularWeight: 438.5161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1=CC2=C(CC3=C(O2)C=CC(=C3)C(=O)[O-])C(=C1C(=O)[O-])CCCN(C)C

Isomeric SMILES

CN(C)CCCC1=CC2=C(CC3=C(O2)C=CC(=C3)C(=O)[O-])C(=C1C(=O)[O-])CCCN(C)C

InChI

InChI=1S/C25H32N2O5/c1-26(2)11-5-7-16-15-22-20(19(23(16)25(30)31)8-6-12-27(3)4)14-18-13-17(24(28)29)9-10-21(18)32-22/h9-10,13,15H,5-8,11-12,14H2,1-4H3,(H,28,29)(H,30,31)/p-2