4,7-bis[9,9-bis(2-ethylhexyl)-7-iodanyl-fluoren-2-yl]-2,1,3-benzothiadiazole

Systemtic Name: 4,7-bis[9,9-bis(2-ethylhexyl)-7-iodanyl-fluoren-2-yl]-2,1,3-benzothiadiazole Openeye Name: 4,7-bis[9,9-bis(2-ethylhexyl)-7-iodo-fluoren-2-yl]-2,1,3-benzothiadiazole CAS Name: 4,7-bis[9,9-bis(2-ethylhexyl)-7-iodo-2-fluorenyl]-2,1,3-benzothiadiazole IUPAC Name: 4,7-bis[9,9-bis(2-ethylhexyl)-7-iodofluoren-2-yl]-2,1,3-benzothiadiazole Traditional Name: 4,7-bis[9,9-bis(2-ethylhexyl)-7-iodo-fluoren-2-yl]piazthiole Formula: C64H82I2N2S MolecularWeight: 1165.22322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1(C2=C(C=CC(=C2)C3=CC=C(C4=NSN=C34)C5=CC6=C(C=C5)C7=C(C6(CC(CC)CCCC)CC(CC)CCCC)C=C(C=C7)I)C8=C1C=C(C=C8)I)CC(CC)CCCC

Isomeric SMILES

CCCCC(CC)CC1(C2=C(C=CC(=C2)C3=CC=C(C4=NSN=C34)C5=CC6=C(C=C5)C7=C(C6(CC(CC)CCCC)CC(CC)CCCC)C=C(C=C7)I)C8=C1C=C(C=C8)I)CC(CC)CCCC

InChI

InChI=1S/C64H82I2N2S/c1-9-17-21-43(13-5)39-63(40-44(14-6)22-18-10-2)57-35-47(25-29-53(57)55-31-27-49(65)37-59(55)63)51-33-34-52(62-61(51)67-69-68-62)48-26-30-54-56-32-28-50(66)38-60(56)64(58(54)36-48,41-45(15-7)23-19-11-3)42-46(16-8)24-20-12-4/h25-38,43-46H,9-24,39-42H2,1-8H3