2-[2-pent-1-ynyl-5-(trifluoromethyl)phenyl]-4,7-dihydro-1,3-dioxepine

Systemtic Name: 2-[2-pent-1-ynyl-5-(trifluoromethyl)phenyl]-4,7-dihydro-1,3-dioxepine Openeye Name: 2-[2-pent-1-ynyl-5-(trifluoromethyl)phenyl]-4,7-dihydro-1,3-dioxepine CAS Name: 2-[2-pent-1-ynyl-5-(trifluoromethyl)phenyl]-4,7-dihydro-1,3-dioxepin IUPAC Name: 2-[2-pent-1-ynyl-5-(trifluoromethyl)phenyl]-4,7-dihydro-1,3-dioxepine Traditional Name: 2-[2-pent-1-ynyl-5-(trifluoromethyl)phenyl]-4,7-dihydro-1,3-dioxepin Formula: C17H17F3O2 MolecularWeight: 310.31089

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=C(C=C(C=C1)C(F)(F)F)C2OCC=CCO2

Isomeric SMILES

CCCC#CC1=C(C=C(C=C1)C(F)(F)F)C2OCC=CCO2

InChI

InChI=1S/C17H17F3O2/c1-2-3-4-7-13-8-9-14(17(18,19)20)12-15(13)16-21-10-5-6-11-22-16/h5-6,8-9,12,16H,2-3,10-11H2,1H3