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Details

Stereochemistry ACHIRAL
Molecular Formula C21H46N.C6Cl5O
Molecular Weight 577.925
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of STEARYLTRIMETHYLAMMONIUM PENTACHLOROPHENATE

SMILES

[O-]C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl.CCCCCCCCCCCCCCCCCC[N+](C)(C)C

InChI

InChIKey=WWFIOGVBRROSQM-UHFFFAOYSA-M
InChI=1S/C21H46N.C6HCl5O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;7-1-2(8)4(10)6(12)5(11)3(1)9/h5-21H2,1-4H3;12H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C6Cl5O
Molecular Weight 265.329
Charge -1
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 C21H46N
Molecular Weight 312.5966
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
26F82J214N
Record Status Validated (UNII)
Record Version