1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-pentan-1-one

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-pentan-1-one Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-pentan-1-one CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-1-pentanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methylpentan-1-one Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-pentan-1-one Formula: C15H20O3 MolecularWeight: 248.3175

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CC(C)CCC(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C15H20O3/c1-11(2)4-6-13(16)12-5-7-14-15(10-12)18-9-3-8-17-14/h5,7,10-11H,3-4,6,8-9H2,1-2H3