[(2R,3S)-1,1,1-tris(fluoranyl)-3-octoxy-butan-2-yl]oxymethylbenzene

Systemtic Name: [(2R,3S)-1,1,1-tris(fluoranyl)-3-octoxy-butan-2-yl]oxymethylbenzene Openeye Name: [(1R,2S)-2-octoxy-1-(trifluoromethyl)propoxy]methylbenzene CAS Name: [(2R,3S)-1,1,1-trifluoro-3-octoxybutan-2-yl]oxymethylbenzene IUPAC Name: [(2R,3S)-1,1,1-trifluoro-3-octoxybutan-2-yl]oxymethylbenzene Traditional Name: [(1R,2S)-2-octoxy-1-(trifluoromethyl)propoxy]methylbenzene Formula: C19H29F3O2 MolecularWeight: 346.42757

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(C)C(C(F)(F)F)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCO[C@@H](C)[C@H](C(F)(F)F)OCC1=CC=CC=C1

InChI

InChI=1S/C19H29F3O2/c1-3-4-5-6-7-11-14-23-16(2)18(19(20,21)22)24-15-17-12-9-8-10-13-17/h8-10,12-13,16,18H,3-7,11,14-15H2,1-2H3/t16-,18+/m0/s1