4,4-dimethyl-3-(2-methylpropanoyl)-1-benzoxepin-5-one

Systemtic Name: 4,4-dimethyl-3-(2-methylpropanoyl)-1-benzoxepin-5-one Openeye Name: 4,4-dimethyl-3-(2-methylpropanoyl)-1-benzoxepin-5-one CAS Name: 4,4-dimethyl-3-(2-methyl-1-oxopropyl)-1-benzoxepin-5-one IUPAC Name: 4,4-dimethyl-3-(2-methylpropanoyl)-1-benzoxepin-5-one Traditional Name: 3-isobutyryl-4,4-dimethyl-1-benzoxepin-5-one Formula: C16H18O3 MolecularWeight: 258.31232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=COC2=CC=CC=C2C(=O)C1(C)C

Isomeric SMILES

CC(C)C(=O)C1=COC2=CC=CC=C2C(=O)C1(C)C

InChI

InChI=1S/C16H18O3/c1-10(2)14(17)12-9-19-13-8-6-5-7-11(13)15(18)16(12,3)4/h5-10H,1-4H3