bis[3-[6-(trifluoromethyl)-9H-carbazol-2-yl]pentan-3-yl] propanedioate

Systemtic Name: bis[3-[6-(trifluoromethyl)-9H-carbazol-2-yl]pentan-3-yl] propanedioate Openeye Name: bis[1-ethyl-1-[6-(trifluoromethyl)-9H-carbazol-2-yl]propyl] propanedioate CAS Name: propanedioic acid bis[3-[6-(trifluoromethyl)-9H-carbazol-2-yl]pentan-3-yl] ester IUPAC Name: bis[3-[6-(trifluoromethyl)-9H-carbazol-2-yl]pentan-3-yl] propanedioate Traditional Name: malonic acid bis[1-ethyl-1-[6-(trifluoromethyl)-9H-carbazol-2-yl]propyl] ester Formula: C39H36F6N2O4 MolecularWeight: 710.704559

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)C(F)(F)F)OC(=O)CC(=O)OC(CC)(CC)C4=CC5=C(C=C4)C6=C(N5)C=CC(=C6)C(F)(F)F

Isomeric SMILES

CCC(CC)(C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)C(F)(F)F)OC(=O)CC(=O)OC(CC)(CC)C4=CC5=C(C=C4)C6=C(N5)C=CC(=C6)C(F)(F)F

InChI

InChI=1S/C39H36F6N2O4/c1-5-36(6-2,22-9-13-26-28-17-24(38(40,41)42)11-15-30(28)46-32(26)19-22)50-34(48)21-35(49)51-37(7-3,8-4)23-10-14-27-29-18-25(39(43,44)45)12-16-31(29)47-33(27)20-23/h9-20,46-47H,5-8,21H2,1-4H3