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21480-09-1 | triethyl-[2-[2-(2-triethylammonioethoxycarbonyl)benzoyl]oxyethyl]azanium diiodide
CAS No: 21480-09-1 Catalog No: AG007QC1 MDL No:
Product Description
Catalog Number:
AG007QC1
Chemical Name:
triethyl-[2-[2-(2-triethylammonioethoxycarbonyl)benzoyl]oxyethyl]azanium diiodide
CAS Number:
21480-09-1
Molecular Formula:
C24H42I2N2O4
Molecular Weight:
676.4102
IUPAC Name:
triethyl-[2-[2-[2-(triethylazaniumyl)ethoxycarbonyl]benzoyl]oxyethyl]azanium;diiodide
InChI:
InChI=1S/C24H42N2O4.2HI/c1-7-25(8-2,9-3)17-19-29-23(27)21-15-13-14-16-22(21)24(28)30-20-18-26(10-4,11-5)12-6;;/h13-16H,7-12,17-20H2,1-6H3;2*1H/q+2;;/p-2
InChI Key:
BPZBTNRPFXFUQK-UHFFFAOYSA-L
SMILES:
CC[N+](CCOC(=O)c1ccccc1C(=O)OCC[N+](CC)(CC)CC)(CC)CC.[I-].[I-]
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
676.123g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
676.419g/mol
Monoisotopic Mass:
676.123g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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