bis[3-(dicyclohexylamino)propyl] 9-oxidanylidenexanthene-2,7-dicarboxylate dihydrochloride

Systemtic Name: bis[3-(dicyclohexylamino)propyl] 9-oxidanylidenexanthene-2,7-dicarboxylate dihydrochloride Openeye Name: bis[3-(dicyclohexylamino)propyl] 9-oxoxanthene-2,7-dicarboxylate dihydrochloride CAS Name: 9-oxoxanthene-2,7-dicarboxylic acid bis[3-(dicyclohexylamino)propyl] ester dihydrochloride IUPAC Name: bis[3-(dicyclohexylamino)propyl] 9-oxoxanthene-2,7-dicarboxylate dihydrochloride Traditional Name: 9-ketoxanthene-2,7-dicarboxylic acid bis[3-(dicyclohexylamino)propyl] ester dihydrochloride Formula: C45H64Cl2N2O6 MolecularWeight: 799.90546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CCCOC(=O)C2=CC3=C(C=C2)OC4=C(C3=O)C=C(C=C4)C(=O)OCCCN(C5CCCCC5)C6CCCCC6)C7CCCCC7.Cl.Cl

Isomeric SMILES

C1CCC(CC1)N(CCCOC(=O)C2=CC3=C(C=C2)OC4=C(C3=O)C=C(C=C4)C(=O)OCCCN(C5CCCCC5)C6CCCCC6)C7CCCCC7.Cl.Cl

InChI

InChI=1S/C45H62N2O6.2ClH/c48-43-39-31-33(44(49)51-29-13-27-46(35-15-5-1-6-16-35)36-17-7-2-8-18-36)23-25-41(39)53-42-26-24-34(32-40(42)43)45(50)52-30-14-28-47(37-19-9-3-10-20-37)38-21-11-4-12-22-38;;/h23-26,31-32,35-38H,1-22,27-30H2;2*1H