Aluminum(III) 2-((4-(ethyl(3-sulfonatobenzyl)amino)phenyl)(4-(ethyl(3-sulfonatobenzyl)iminio)cyclohexa-2,5-dien-1-ylidene)methyl)benzenesulfonate

Name: Aluminum(III) 2-((4-(ethyl(3-sulfonatobenzyl)amino)phenyl)(4-(ethyl(3-sulfonatobenzyl)iminio)cyclohexa-2,5-dien-1-ylidene)methyl)benzenesulfonate
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CAS No. 68921-42-6
Cat. No. CS-0454906
Purity≥98%
MDL No.None

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Aluminum(III) 2-((4-(ethyl(3-sulfonatobenzyl)amino)phenyl)(4-(ethyl(3-sulfonatobenzyl)iminio)cyclohexa-2,5-dien-1-ylidene)methyl)benzenesulfonate|CS-0454906

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General Information

CAS No. 68921-42-6
Cat. No. CS-0454906
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁₁H₁₀₂Al₂N₆O₂₇S₉
Molecular Weight 2294.57
Synonym(s) N-Ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadiene-1-ylidene]-3-sulfonatobenzenemethanaminium
SMILES CC[N+](=C1C=CC(=C(C2=CC=C(C=C2)N(CC)CC3=CC(=CC=C3)S(=O)(=O)[O-])C4=CC=CC=C4S(=O)(=O)[O-])C=C1)CC5=CC(=CC=C5)S(=O)(=O)[O-].CC[N+](=C1C=CC(=C(C2=CC=C(C=C2)N(CC)CC3=CC(=CC=C3)S(=O)(=O)[O-])C4=CC=CC=C4S(=O)(=O)[O-])C=C1)CC5=CC(=CC=C5)S(=O)(=O)[O-].CC[N+](=C1C=CC(=C(C2=CC=C(C=C2)N(CC)CC3=CC(=CC=C3)S(=O)(=O)[O-])C4=CC=CC=C4S(=O)(=O)[O-])C=C1)CC5=CC(=CC=C5)S(=O)(=O)[O-].[Al+3].[Al+3]

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 533.55
LogP 12.7129
H_Acceptors 30
H_Donors 0
Rotatable_Bonds 36

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Aluminum(III) 2-((4-(ethyl(3-sulfonatobenzyl)amino)phenyl)(4-(ethyl(3-sulfonatobenzyl)iminio)cyclohexa-2,5-dien-1-ylidene)methyl)benzenesulfonate

CAS No. 68921-42-6

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