Compound C28H40I2N2O6S

2-[5-[2-[diethyl(methyl)azaniumyl]ethoxycarbonyl]-3,4-bis(furan-2-yl)thiophene-2-carbonyl]oxyethyl-diethyl-methylazanium diiodide

CAS: 19799-21-4

Molecular Formula	`C28H40I2N2O6S`
Molecular Weight	786.5 g/mol
Topological Polar Surface Area	107.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	9
Rotatable Bonds	16
Exact Mass	786.06964
Heavy Atoms	39
Complexity	684.0

Chemical Identifiers

CAS Number	19799-21-4
SMILES	`CC[N+](C)(CC)CCOC(=O)C1=C(C(=C(S1)C(=O)OCC[N+](C)(CC)CC)C2=CC=CO2)C3=CC=CO3.[I-].[I-]`
InChIKey	`ABDWMGHCVNXRIL-UHFFFAOYSA-L`

📖 Product Overview

Compound C28H40I2N2O6S (CAS: 19799-21-4) is a chemical compound with molecular formula C28H40I2N2O6S and molecular weight 786.5 g/mol. Its IUPAC systematic name is 2-[5-[2-[diethyl(methyl)azaniumyl]ethoxycarbonyl]-3,4-bis(furan-2-yl)thiophene-2-carbonyl]oxyethyl-diethyl-methylazanium diiodide. Topological Polar Surface Area 107.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 9 Rotatable Bonds 16 Exact Mass 786.06964 Heavy Atoms 39 Complexity 684.0 InChI Key: ABDWMGHCVNXRIL-UHFFFAOYSA-L. SMILES: CC[N+](C)(CC)CCOC(=O)C1=C(C(=C(S1)C(=O)OCC[N+](C)(CC)CC)C2=CC=CO2)C3=CC=CO3.[I-].[I-].

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