(E)-4-[3,3-dimethyl-7-(trifluoromethyloxy)-2H-1-benzoxepin-5-yl]but-3-en-2-one

Systemtic Name: (E)-4-[3,3-dimethyl-7-(trifluoromethyloxy)-2H-1-benzoxepin-5-yl]but-3-en-2-one Openeye Name: (E)-4-[3,3-dimethyl-7-(trifluoromethoxy)-2H-1-benzoxepin-5-yl]but-3-en-2-one CAS Name: (E)-4-[3,3-dimethyl-7-(trifluoromethoxy)-2H-1-benzoxepin-5-yl]-3-buten-2-one IUPAC Name: (E)-4-[3,3-dimethyl-7-(trifluoromethoxy)-2H-1-benzoxepin-5-yl]but-3-en-2-one Traditional Name: (E)-4-[3,3-dimethyl-7-(trifluoromethoxy)-2H-1-benzoxepin-5-yl]but-3-en-2-one Formula: C17H17F3O3 MolecularWeight: 326.31029

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CC(COC2=C1C=C(C=C2)OC(F)(F)F)(C)C

Isomeric SMILES

CC(=O)/C=C/C1=CC(COC2=C1C=C(C=C2)OC(F)(F)F)(C)C

InChI

InChI=1S/C17H17F3O3/c1-11(21)4-5-12-9-16(2,3)10-22-15-7-6-13(8-14(12)15)23-17(18,19)20/h4-9H,10H2,1-3H3/b5-4+