Compound C46H54I2N2O8

5-(1,3-benzodioxol-5-yl)-6-[10-[5-(1,3-benzodioxol-5-yl)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]decyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium diiodide

CAS: 20232-95-5

Molecular Formula	`C46H54I2N2O8`
Molecular Weight	1016.7 g/mol
Topological Polar Surface Area	73.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	10
Rotatable Bonds	13
Exact Mass	1016.19696
Heavy Atoms	58
Complexity	1210.0

Chemical Identifiers

CAS Number	20232-95-5
SMILES	`C[N+]1(CCC2=CC3=C(C=C2C1C4=CC5=C(C=C4)OCO5)OCO3)CCCCCCCCCC[N+]6(CCC7=CC8=C(C=C7C6C9=CC1=C(C=C9)OCO1)OCO8)C.[I-].[I-]`
InChIKey	`SRXVAIORCPKQJO-UHFFFAOYSA-L`

📖 Product Overview

Compound C46H54I2N2O8 (CAS: 20232-95-5) is a chemical compound with molecular formula C46H54I2N2O8 and molecular weight 1016.7 g/mol. Its IUPAC systematic name is 5-(1,3-benzodioxol-5-yl)-6-[10-[5-(1,3-benzodioxol-5-yl)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]decyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium diiodide. Topological Polar Surface Area 73.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 10 Rotatable Bonds 13 Exact Mass 1016.19696 Heavy Atoms 58 Complexity 1210.0 InChI Key: SRXVAIORCPKQJO-UHFFFAOYSA-L. SMILES: C[N+]1(CCC2=CC3=C(C=C2C1C4=CC5=C(C=C4)OCO5)OCO3)CCCCCCCCCC[N+]6(CCC7=CC8=C(C=C7C6C9=CC1=C(C=C9)OCO1)OCO8)C.[I-].[I-].

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