CAS Registry Number®
86776-54-7
CAS Name
Benzoic acid, 4-heptyl-, 4-cyano-3-fluorophenyl ester
Molecular Formula
C21H22FNO2
Molecular Mass
339.40
Other Names and Identifiers
InChI
InChI=1S/C21H22FNO2/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)21(24)25-19-13-12-18(15-23)20(22)14-19/h8-14H,2-7H2,1H3
InChIKey
InChIKey=BJTUQNRKEMWBHS-UHFFFAOYSA-N
SMILES
C(OC1=CC(F)=C(C#N)C=C1)(=O)C2=CC=C(CCCCCCC)C=C2
Canonical SMILES
N#CC1=CC=C(OC(=O)C2=CC=C(C=C2)CCCCCCC)C=C1F
Other Names for this Substance
- Benzoic acid, 4-heptyl-, 4-cyano-3-fluorophenyl ester
- 4-Cyano-3-fluorophenyl 4-heptylbenzoate
- FCHB
