7-(2-methylpropyl)-1,5-benzodioxepin-3-one

Systemtic Name: 7-(2-methylpropyl)-1,5-benzodioxepin-3-one Openeye Name: 7-isobutyl-1,5-benzodioxepin-3-one CAS Name: 7-(2-methylpropyl)-1,5-benzodioxepin-3-one IUPAC Name: 7-(2-methylpropyl)-1,5-benzodioxepin-3-one Traditional Name: 7-isobutyl-1,5-benzodioxepin-3-one Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC2=C(C=C1)OCC(=O)CO2

Isomeric SMILES

CC(C)CC1=CC2=C(C=C1)OCC(=O)CO2

InChI

InChI=1S/C13H16O3/c1-9(2)5-10-3-4-12-13(6-10)16-8-11(14)7-15-12/h3-4,6,9H,5,7-8H2,1-2H3