bis[2-(2-butyl-1-benzofuran-3-yl)-4-(2-diethylaminoethyloxy)-3,5-bis(iodanyl)phenyl]methanone

Systemtic Name: bis[2-(2-butyl-1-benzofuran-3-yl)-4-(2-diethylaminoethyloxy)-3,5-bis(iodanyl)phenyl]methanone Openeye Name: bis[2-(2-butylbenzofuran-3-yl)-4-(2-diethylaminoethyloxy)-3,5-diiodo-phenyl]methanone CAS Name: bis[2-(2-butyl-3-benzofuranyl)-4-(2-diethylaminoethyloxy)-3,5-diiodophenyl]methanone IUPAC Name: bis[2-(2-butyl-1-benzofuran-3-yl)-4-(2-diethylaminoethyloxy)-3,5-diiodophenyl]methanone Traditional Name: bis[2-(2-butylbenzofuran-3-yl)-4-(2-diethylaminoethyloxy)-3,5-diiodo-phenyl]methanone Formula: C49H56I4N2O5 MolecularWeight: 1260.59722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C3=C(C(=C(C=C3C(=O)C4=CC(=C(C(=C4C5=C(OC6=CC=CC=C65)CCCC)I)OCCN(CC)CC)I)I)OCCN(CC)CC)I

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C3=C(C(=C(C=C3C(=O)C4=CC(=C(C(=C4C5=C(OC6=CC=CC=C65)CCCC)I)OCCN(CC)CC)I)I)OCCN(CC)CC)I

InChI

InChI=1S/C49H56I4N2O5/c1-7-13-21-39-41(31-19-15-17-23-37(31)59-39)43-33(29-35(50)48(45(43)52)57-27-25-54(9-3)10-4)47(56)34-30-36(51)49(58-28-26-55(11-5)12-6)46(53)44(34)42-32-20-16-18-24-38(32)60-40(42)22-14-8-2/h15-20,23-24,29-30H,7-14,21-22,25-28H2,1-6H3