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

Systemtic Name: 1,3-bis[3-(dibutylamino)propyl]-9-oxidanylidene-xanthene-2,7-dicarboxylate dihydrochloride Openeye Name: 1,3-bis[3-(dibutylamino)propyl]-9-oxo-xanthene-2,7-dicarboxylate dihydrochloride CAS Name: 1,3-bis[3-(dibutylamino)propyl]-9-oxoxanthene-2,7-dicarboxylate dihydrochloride IUPAC Name: 1,3-bis[3-(dibutylamino)propyl]-9-oxoxanthene-2,7-dicarboxylate dihydrochloride Traditional Name: 1,3-bis[3-(dibutylamino)propyl]-9-keto-xanthene-2,7-dicarboxylate dihydrochloride Formula: C37H54Cl2N2O6-2 MolecularWeight: 693.74046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H54N2O6.2ClH/c1-5-9-19-38(20-10-6-2)23-13-15-27-26-32-34(35(40)30-25-28(36(41)42)17-18-31(30)45-32)29(33(27)37(43)44)16-14-24-39(21-11-7-3)22-12-8-4;;/h17-18,25-26H,5-16,19-24H2,1-4H3,(H,41,42)(H,43,44);2*1H/p-2