Compound C32H42I2N2O4S

2-[3-[2-[diethyl(methyl)azaniumyl]ethoxycarbonyl]phenanthro[9,10-c]thiophene-1-carbonyl]oxyethyl-diethyl-methylazanium diiodide

CAS: 19976-53-5

Molecular Formula	`C32H42I2N2O4S`
Molecular Weight	804.6 g/mol
Topological Polar Surface Area	80.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	14
Exact Mass	804.09546
Heavy Atoms	41
Complexity	763.0

Chemical Identifiers

CAS Number	19976-53-5
SMILES	`CC[N+](C)(CC)CCOC(=O)C1=C2C3=CC=CC=C3C4=CC=CC=C4C2=C(S1)C(=O)OCC[N+](C)(CC)CC.[I-].[I-]`
InChIKey	`HPIFGMQCBVGFJD-UHFFFAOYSA-L`

📖 Product Overview

Compound C32H42I2N2O4S (CAS: 19976-53-5) is a chemical compound with molecular formula C32H42I2N2O4S and molecular weight 804.6 g/mol. Its IUPAC systematic name is 2-[3-[2-[diethyl(methyl)azaniumyl]ethoxycarbonyl]phenanthro[9,10-c]thiophene-1-carbonyl]oxyethyl-diethyl-methylazanium diiodide. Topological Polar Surface Area 80.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 7 Rotatable Bonds 14 Exact Mass 804.09546 Heavy Atoms 41 Complexity 763.0 InChI Key: HPIFGMQCBVGFJD-UHFFFAOYSA-L. SMILES: CC[N+](C)(CC)CCOC(=O)C1=C2C3=CC=CC=C3C4=CC=CC=C4C2=C(S1)C(=O)OCC[N+](C)(CC)CC.[I-].[I-].

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