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

Systemtic Name: 1,3-bis[3-(dibutylamino)propyl]-9H-xanthene-2,7-dicarboxylate dihydrochloride Openeye Name: 1,3-bis[3-(dibutylamino)propyl]-9H-xanthene-2,7-dicarboxylate dihydrochloride CAS Name: 1,3-bis[3-(dibutylamino)propyl]-9H-xanthene-2,7-dicarboxylate dihydrochloride IUPAC Name: 1,3-bis[3-(dibutylamino)propyl]-9H-xanthene-2,7-dicarboxylate dihydrochloride Traditional Name: 1,3-bis[3-(dibutylamino)propyl]-9H-xanthene-2,7-dicarboxylate dihydrochloride Formula: C37H56Cl2N2O5-2 MolecularWeight: 679.75694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCC1=CC2=C(CC3=C(O2)C=CC(=C3)C(=O)[O-])C(=C1C(=O)[O-])CCCN(CCCC)CCCC.Cl.Cl

Isomeric SMILES

CCCCN(CCCC)CCCC1=CC2=C(CC3=C(O2)C=CC(=C3)C(=O)[O-])C(=C1C(=O)[O-])CCCN(CCCC)CCCC.Cl.Cl

InChI

InChI=1S/C37H56N2O5.2ClH/c1-5-9-19-38(20-10-6-2)23-13-15-28-27-34-32(26-30-25-29(36(40)41)17-18-33(30)44-34)31(35(28)37(42)43)16-14-24-39(21-11-7-3)22-12-8-4;;/h17-18,25,27H,5-16,19-24,26H2,1-4H3,(H,40,41)(H,42,43);2*1H/p-2