dimethyl 2,5-bis(7-bromanyl-9,9-dioctyl-fluoren-2-yl)benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2,5-bis(7-bromanyl-9,9-dioctyl-fluoren-2-yl)benzene-1,4-dicarboxylate Openeye Name: dimethyl 2,5-bis(7-bromo-9,9-dioctyl-fluoren-2-yl)benzene-1,4-dicarboxylate CAS Name: 2,5-bis(7-bromo-9,9-dioctyl-2-fluorenyl)benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2,5-bis(7-bromo-9,9-dioctylfluoren-2-yl)benzene-1,4-dicarboxylate Traditional Name: 2,5-bis(7-bromo-9,9-dioctyl-fluoren-2-yl)benzene-1,4-dicarboxylic acid dimethyl ester Formula: C68H88Br2O4 MolecularWeight: 1129.23192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C2=C(C=CC(=C2)C3=CC(=C(C=C3C(=O)OC)C4=CC5=C(C=C4)C6=C(C5(CCCCCCCC)CCCCCCCC)C=C(C=C6)Br)C(=O)OC)C7=C1C=C(C=C7)Br)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1(C2=C(C=CC(=C2)C3=CC(=C(C=C3C(=O)OC)C4=CC5=C(C=C4)C6=C(C5(CCCCCCCC)CCCCCCCC)C=C(C=C6)Br)C(=O)OC)C7=C1C=C(C=C7)Br)CCCCCCCC

InChI

InChI=1S/C68H88Br2O4/c1-7-11-15-19-23-27-39-67(40-28-24-20-16-12-8-2)61-43-49(31-35-53(61)55-37-33-51(69)45-63(55)67)57-47-60(66(72)74-6)58(48-59(57)65(71)73-5)50-32-36-54-56-38-34-52(70)46-64(56)68(62(54)44-50,41-29-25-21-17-13-9-3)42-30-26-22-18-14-10-4/h31-38,43-48H,7-30,39-42H2,1-6H3