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

Systemtic Name: (E)-4-(7-chloranyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)but-3-en-2-one Openeye Name: (E)-4-(7-chloro-3,3-dimethyl-2H-1-benzoxepin-5-yl)but-3-en-2-one CAS Name: (E)-4-(7-chloro-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-buten-2-one IUPAC Name: (E)-4-(7-chloro-3,3-dimethyl-2H-1-benzoxepin-5-yl)but-3-en-2-one Traditional Name: (E)-4-(7-chloro-3,3-dimethyl-2H-1-benzoxepin-5-yl)but-3-en-2-one Formula: C16H17ClO2 MolecularWeight: 276.75798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CC(COC2=C1C=C(C=C2)Cl)(C)C

Isomeric SMILES

CC(=O)/C=C/C1=CC(COC2=C1C=C(C=C2)Cl)(C)C

InChI

InChI=1S/C16H17ClO2/c1-11(18)4-5-12-9-16(2,3)10-19-15-7-6-13(17)8-14(12)15/h4-9H,10H2,1-3H3/b5-4+