phenethyl 6,6,6-tris(fluoranyl)-2-propyl-hexanoate

Systemtic Name: phenethyl 6,6,6-tris(fluoranyl)-2-propyl-hexanoate Openeye Name: phenethyl 6,6,6-trifluoro-2-propyl-hexanoate CAS Name: 6,6,6-trifluoro-2-propylhexanoic acid phenethyl ester IUPAC Name: phenethyl 6,6,6-trifluoro-2-propylhexanoate Traditional Name: 6,6,6-trifluoro-2-propyl-hexanoic acid phenethyl ester Formula: C17H23F3O2 MolecularWeight: 316.35853

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCC(F)(F)F)C(=O)OCCC1=CC=CC=C1

Isomeric SMILES

CCCC(CCCC(F)(F)F)C(=O)OCCC1=CC=CC=C1

InChI

InChI=1S/C17H23F3O2/c1-2-7-15(10-6-12-17(18,19)20)16(21)22-13-11-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3