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

Systemtic Name: (E)-4-(3,3,7-trimethyl-2H-1-benzoxepin-5-yl)but-3-en-2-one Openeye Name: (E)-4-(3,3,7-trimethyl-2H-1-benzoxepin-5-yl)but-3-en-2-one CAS Name: (E)-4-(3,3,7-trimethyl-2H-1-benzoxepin-5-yl)-3-buten-2-one IUPAC Name: (E)-4-(3,3,7-trimethyl-2H-1-benzoxepin-5-yl)but-3-en-2-one Traditional Name: (E)-4-(3,3,7-trimethyl-2H-1-benzoxepin-5-yl)but-3-en-2-one Formula: C17H20O2 MolecularWeight: 256.3395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(C=C2C=CC(=O)C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(C=C2/C=C/C(=O)C)(C)C

InChI

InChI=1S/C17H20O2/c1-12-5-8-16-15(9-12)14(7-6-13(2)18)10-17(3,4)11-19-16/h5-10H,11H2,1-4H3/b7-6+