7,7'-((2,4-Diphenylcyclobutane-1,3-diyl)bis(carbonyloxy))bis(N,N-diethyl-N-methylheptan-1-aminium) diiodide

HCID 24894

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Basic information

CAS: 10066-77-0
Standard SMILES: CC[N+](C)(CC)CCCCCCCOC(=O)C1C(c2ccccc2)C(C(=O)OCCCCCCC[N+](C)(CC)CC)C1c1ccccc1.[I-].[I-]
InChIKey: HCWQOTFEISPQMI-UHFFFAOYSA-L
Molecular formula: C42H68I2N2O4
Average molar mass: 918.8 g/mol
Monoisotopic mass: 918.32685

Names & identifiers

Preferred name: 7,7'-((2,4-Diphenylcyclobutane-1,3-diyl)bis(carbonyloxy))bis(N,N-diethyl-N-methylheptan-1-aminium) diiodide
IUPAC: 7-[3-[7-[diethyl(methyl)azaniumyl]heptoxycarbonyl]-2,4-diphenylcyclobutanecarbonyl]oxyheptyl-diethyl-methylazanium diiodide

Names & synonyms

10066-77-0DTXSID009056627,7'-((2,4-Diphenylcyclobutane-1,3-diyl)bis(carbonyloxy))bis(N,N-diethyl-N-methylheptan-1-aminium) diiodide7,7'-[(2,4-diphenylcyclobutane-1,3-diyl)bis(carbonyloxy)]bis(N,N-diethyl-N-methylheptan-1-aminium) diiodideRefChem:1074251DTXCID801334765Ammonium, diethyl(7-hydroxyheptyl)methyl-, iodide, ester with (cis-1,2,trans-1,3,trans-1,4)-2,4-diphenyl-1,3-cyclobutanedicarboxylic acid (2:1)

Database identifiers

CAS: 10066-77-0
PubChem CID: 24894
DTXSID: DTXSID00905662

Properties

Computed structural properties

Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 26
Heavy atoms: 50
Formal charge: 0
Complexity: 804

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