(E)-4-(8-chloranyl-7-fluoranyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)but-3-en-2-one

Systemtic Name: (E)-4-(8-chloranyl-7-fluoranyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)but-3-en-2-one Openeye Name: (E)-4-(8-chloro-7-fluoro-3,3-dimethyl-2H-1-benzoxepin-5-yl)but-3-en-2-one CAS Name: (E)-4-(8-chloro-7-fluoro-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-buten-2-one IUPAC Name: (E)-4-(8-chloro-7-fluoro-3,3-dimethyl-2H-1-benzoxepin-5-yl)but-3-en-2-one Traditional Name: (E)-4-(8-chloro-7-fluoro-3,3-dimethyl-2H-1-benzoxepin-5-yl)but-3-en-2-one Formula: C16H16ClFO2 MolecularWeight: 294.748443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CC(COC2=CC(=C(C=C21)F)Cl)(C)C

Isomeric SMILES

CC(=O)/C=C/C1=CC(COC2=CC(=C(C=C21)F)Cl)(C)C

InChI

InChI=1S/C16H16ClFO2/c1-10(19)4-5-11-8-16(2,3)9-20-15-7-13(17)14(18)6-12(11)15/h4-8H,9H2,1-3H3/b5-4+