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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-butan-1-one Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-butan-1-one CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-1-butanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylbutan-1-one Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-butan-1-one Formula: C14H18O3 MolecularWeight: 234.29092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3/c1-3-10(2)14(15)11-5-6-12-13(9-11)17-8-4-7-16-12/h5-6,9-10H,3-4,7-8H2,1-2H3