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

Systemtic Name: (2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethyloxy)-3,5-bis(iodanyl)phenyl]methanol Openeye Name: (2-butylbenzofuran-3-yl)-[4-(2-diethylaminoethyloxy)-3,5-diiodo-phenyl]methanol CAS Name: (2-butyl-3-benzofuranyl)-[4-(2-diethylaminoethyloxy)-3,5-diiodophenyl]methanol IUPAC Name: (2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethyloxy)-3,5-diiodophenyl]methanol Traditional Name: (2-butylbenzofuran-3-yl)-[4-(2-diethylaminoethyloxy)-3,5-diiodo-phenyl]methanol Formula: C25H31I2NO3 MolecularWeight: 647.32748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(C3=CC(=C(C(=C3)I)OCCN(CC)CC)I)O

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(C3=CC(=C(C(=C3)I)OCCN(CC)CC)I)O

InChI

InChI=1S/C25H31I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16,24,29H,4-7,11,13-14H2,1-3H3