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Details

Stereochemistry ACHIRAL
Molecular Formula C44H92N.Cl
Molecular Weight 670.661
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIBEHENYL DIMONIUM CHLORIDE

SMILES

[Cl-].CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCCCC

InChI

InChIKey=MUDOAHDTTYJSHX-UHFFFAOYSA-M
InChI=1S/C44H92N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-42-44-45(3,4)43-41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-2;/h5-44H2,1-4H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C44H92N
Molecular Weight 635.208
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
A74A052316
Record Status Validated (UNII)
Record Version