bis[5-(6-chloranyl-9H-carbazol-2-yl)nonan-5-yl] propanedioate

Systemtic Name: bis[5-(6-chloranyl-9H-carbazol-2-yl)nonan-5-yl] propanedioate Openeye Name: bis[1-butyl-1-(6-chloro-9H-carbazol-2-yl)pentyl] propanedioate CAS Name: propanedioic acid bis[5-(6-chloro-9H-carbazol-2-yl)nonan-5-yl] ester IUPAC Name: bis[5-(6-chloro-9H-carbazol-2-yl)nonan-5-yl] propanedioate Traditional Name: malonic acid bis[1-butyl-1-(6-chloro-9H-carbazol-2-yl)pentyl] ester Formula: C45H52Cl2N2O4 MolecularWeight: 755.81138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)Cl)OC(=O)CC(=O)OC(CCCC)(CCCC)C4=CC5=C(C=C4)C6=C(N5)C=CC(=C6)Cl

Isomeric SMILES

CCCCC(CCCC)(C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)Cl)OC(=O)CC(=O)OC(CCCC)(CCCC)C4=CC5=C(C=C4)C6=C(N5)C=CC(=C6)Cl

InChI

InChI=1S/C45H52Cl2N2O4/c1-5-9-21-44(22-10-6-2,30-13-17-34-36-27-32(46)15-19-38(36)48-40(34)25-30)52-42(50)29-43(51)53-45(23-11-7-3,24-12-8-4)31-14-18-35-37-28-33(47)16-20-39(37)49-41(35)26-31/h13-20,25-28,48-49H,5-12,21-24,29H2,1-4H3