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Details

Stereochemistry ACHIRAL
Molecular Formula C34H72N.Cl
Molecular Weight 530.395
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DICETYLDIMONIUM CHLORIDE

SMILES

[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC

InChI

InChIKey=ZCPCLAPUXMZUCD-UHFFFAOYSA-M
InChI=1S/C34H72N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-34H2,1-4H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C34H72N
Molecular Weight 494.9422
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

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

Approval Year

PubMed

Patents

Substance Class Chemical
Record UNII
6F4SX2007N
Record Status Validated (UNII)
Record Version