bis(1-iodanylbutyl) 4,10-dicyanoperylene-3,9-dicarboxylate

Systemtic Name: bis(1-iodanylbutyl) 4,10-dicyanoperylene-3,9-dicarboxylate Openeye Name: bis(1-iodobutyl) 4,10-dicyanoperylene-3,9-dicarboxylate CAS Name: 4,10-dicyanoperylene-3,9-dicarboxylic acid bis(1-iodobutyl) ester IUPAC Name: bis(1-iodobutyl) 4,10-dicyanoperylene-3,9-dicarboxylate Traditional Name: 4,10-dicyanoperylene-3,9-dicarboxylic acid bis(1-iodobutyl) ester Formula: C32H24I2N2O4 MolecularWeight: 754.3529

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(OC(=O)C1=CC=C2C3=C4C(=CC=C(C4=C(C=C3)C#N)C(=O)OC(CCC)I)C5=C2C1=C(C=C5)C#N)I

Isomeric SMILES

CCCC(OC(=O)C1=CC=C2C3=C4C(=CC=C(C4=C(C=C3)C#N)C(=O)OC(CCC)I)C5=C2C1=C(C=C5)C#N)I

InChI

InChI=1S/C32H24I2N2O4/c1-3-5-25(33)39-31(37)23-13-11-21-20-10-8-18(16-36)28-24(32(38)40-26(34)6-4-2)14-12-22(30(20)28)19-9-7-17(15-35)27(23)29(19)21/h7-14,25-26H,3-6H2,1-2H3