2,8-bis[2-(9,9-dibutyl-7-iodanyl-fluoren-2-yl)ethynyl]dibenzothiophene 5,5-dioxide

Systemtic Name: 2,8-bis[2-(9,9-dibutyl-7-iodanyl-fluoren-2-yl)ethynyl]dibenzothiophene 5,5-dioxide Openeye Name: 2,8-bis[2-(9,9-dibutyl-7-iodo-fluoren-2-yl)ethynyl]dibenzothiophene 5,5-dioxide CAS Name: 2,8-bis[2-(9,9-dibutyl-7-iodo-2-fluorenyl)ethynyl]dibenzothiophene 5,5-dioxide IUPAC Name: 2,8-bis[2-(9,9-dibutyl-7-iodofluoren-2-yl)ethynyl]dibenzothiophene 5,5-dioxide Traditional Name: 2,8-bis[2-(9,9-dibutyl-7-iodo-fluoren-2-yl)ethynyl]dibenzothiophene 5,5-dioxide Formula: C58H54I2O2S MolecularWeight: 1068.9221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=C(C=CC(=C2)C#CC3=CC4=C(C=C3)S(=O)(=O)C5=C4C=C(C=C5)C#CC6=CC7=C(C=C6)C8=C(C7(CCCC)CCCC)C=C(C=C8)I)C9=C1C=C(C=C9)I)CCCC

Isomeric SMILES

CCCCC1(C2=C(C=CC(=C2)C#CC3=CC4=C(C=C3)S(=O)(=O)C5=C4C=C(C=C5)C#CC6=CC7=C(C=C6)C8=C(C7(CCCC)CCCC)C=C(C=C8)I)C9=C1C=C(C=C9)I)CCCC

InChI

InChI=1S/C58H54I2O2S/c1-5-9-29-57(30-10-6-2)51-35-41(17-23-45(51)47-25-21-43(59)37-53(47)57)15-13-39-19-27-55-49(33-39)50-34-40(20-28-56(50)63(55,61)62)14-16-42-18-24-46-48-26-22-44(60)38-54(48)58(31-11-7-3,32-12-8-4)52(46)36-42/h17-28,33-38H,5-12,29-32H2,1-4H3