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Details

Stereochemistry ACHIRAL
Molecular Formula C16H18O3
Molecular Weight 258.3123
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-ETHYNYLPHENYL)-4-PROPYL-2,6,7-TRIOXABICYCLO(2.2.2)OCTANE

SMILES

CCCC12COC(OC1)(OC2)C3=CC=C(C=C3)C#C

InChI

InChIKey=HFUCNMPQEAYQDJ-UHFFFAOYSA-N
InChI=1S/C16H18O3/c1-3-9-15-10-17-16(18-11-15,19-12-15)14-7-5-13(4-2)6-8-14/h2,5-8H,3,9-12H2,1H3

HIDE SMILES / InChI

Molecular Formula C16H18O3
Molecular Weight 258.3123
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

Substance Class Chemical
Record UNII
VGI6L0G4CG
Record Status Validated (UNII)
Record Version