[2-[2,6-bis(iodanyl)-4-[(2-propyl-1-benzofuran-3-yl)carbonyl]phenoxy]ethyl-diethyl-azaniumyl]methyl hydrogen phosphate

Systemtic Name: [2-[2,6-bis(iodanyl)-4-[(2-propyl-1-benzofuran-3-yl)carbonyl]phenoxy]ethyl-diethyl-azaniumyl]methyl hydrogen phosphate Openeye Name: [2-[2,6-diiodo-4-(2-propylbenzofuran-3-carbonyl)phenoxy]ethyl-diethyl-ammonio]methyl hydrogen phosphate CAS Name: [2-[2,6-diiodo-4-[oxo-(2-propyl-3-benzofuranyl)methyl]phenoxy]ethyl-diethylammonio]methyl hydrogen phosphate IUPAC Name: [2-[2,6-diiodo-4-(2-propyl-1-benzofuran-3-carbonyl)phenoxy]ethyl-diethylazaniumyl]methyl hydrogen phosphate Traditional Name: [2-[2,6-diiodo-4-(2-propylbenzofuran-3-carbonyl)phenoxy]ethyl-diethyl-ammonio]methyl hydrogen phosphate Formula: C25H30I2NO7P MolecularWeight: 741.290901

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCC[N+](CC)(CC)COP(=O)(O)[O-])I

Isomeric SMILES

CCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCC[N+](CC)(CC)COP(=O)(O)[O-])I

InChI

InChI=1S/C25H30I2NO7P/c1-4-9-22-23(18-10-7-8-11-21(18)35-22)24(29)17-14-19(26)25(20(27)15-17)33-13-12-28(5-2,6-3)16-34-36(30,31)32/h7-8,10-11,14-15H,4-6,9,12-13,16H2,1-3H3,(H-,30,31,32)