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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H32O3
Molecular Weight 296.4449
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of VERNOLIC ACID, CIS-(+)-

SMILES

CCCCC[C@H]1O[C@H]1C\C=C/CCCCCCCC(O)=O

InChI

InChIKey=CCPPLLJZDQAOHD-GJGKEFFFSA-N
InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/t16-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H32O3
Molecular Weight 296.4449
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
FR42854EPW
Record Status Validated (UNII)
Record Version