(E)-4-(9-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)but-3-en-2-one

Systemtic Name: (E)-4-(9-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)but-3-en-2-one Openeye Name: (E)-4-(9-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)but-3-en-2-one CAS Name: (E)-4-(9-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-buten-2-one IUPAC Name: (E)-4-(9-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)but-3-en-2-one Traditional Name: (E)-4-(9-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)but-3-en-2-one Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CC(COC2=C1C=CC=C2OC)(C)C

Isomeric SMILES

CC(=O)/C=C/C1=CC(COC2=C1C=CC=C2OC)(C)C

InChI

InChI=1S/C17H20O3/c1-12(18)8-9-13-10-17(2,3)11-20-16-14(13)6-5-7-15(16)19-4/h5-10H,11H2,1-4H3/b9-8+