bis(2-methylpropyl) 4,10-dicyanoperylene-3,9-dicarboxylate

Systemtic Name: bis(2-methylpropyl) 4,10-dicyanoperylene-3,9-dicarboxylate Openeye Name: diisobutyl 4,10-dicyanoperylene-3,9-dicarboxylate CAS Name: 4,10-dicyanoperylene-3,9-dicarboxylic acid bis(2-methylpropyl) ester IUPAC Name: bis(2-methylpropyl) 4,10-dicyanoperylene-3,9-dicarboxylate Traditional Name: 4,10-dicyanoperylene-3,9-dicarboxylic acid diisobutyl ester Formula: C32H26N2O4 MolecularWeight: 502.55984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C2C3=C4C(=CC=C(C4=C(C=C3)C#N)C(=O)OCC(C)C)C5=C2C1=C(C=C5)C#N

Isomeric SMILES

CC(C)COC(=O)C1=CC=C2C3=C4C(=CC=C(C4=C(C=C3)C#N)C(=O)OCC(C)C)C5=C2C1=C(C=C5)C#N

InChI

InChI=1S/C32H26N2O4/c1-17(2)15-37-31(35)25-11-9-23-22-8-6-20(14-34)28-26(32(36)38-16-18(3)4)12-10-24(30(22)28)21-7-5-19(13-33)27(25)29(21)23/h5-12,17-18H,15-16H2,1-4H3