bis[3-(dibutylamino)propyl] 9-oxidanylidenefluorene-2,7-dicarboxylate hydrate hydrochloride

Systemtic Name: bis[3-(dibutylamino)propyl] 9-oxidanylidenefluorene-2,7-dicarboxylate hydrate hydrochloride Openeye Name: bis[3-(dibutylamino)propyl] 9-oxofluorene-2,7-dicarboxylate hydrate hydrochloride CAS Name: 9-oxofluorene-2,7-dicarboxylic acid bis[3-(dibutylamino)propyl] ester hydrate hydrochloride IUPAC Name: bis[3-(dibutylamino)propyl] 9-oxofluorene-2,7-dicarboxylate hydrate hydrochloride Traditional Name: 9-ketofluorene-2,7-dicarboxylic acid bis[3-(dibutylamino)propyl] ester hydrate hydrochloride Formula: C37H57ClN2O6 MolecularWeight: 661.31128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCOC(=O)C1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)C(=O)OCCCN(CCCC)CCCC.O.Cl

Isomeric SMILES

CCCCN(CCCC)CCCOC(=O)C1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)C(=O)OCCCN(CCCC)CCCC.O.Cl

InChI

InChI=1S/C37H54N2O5.ClH.H2O/c1-5-9-19-38(20-10-6-2)23-13-25-43-36(41)29-15-17-31-32-18-16-30(28-34(32)35(40)33(31)27-29)37(42)44-26-14-24-39(21-11-7-3)22-12-8-4;;/h15-18,27-28H,5-14,19-26H2,1-4H3;1H;1H2