7-(4-methylpentyl)-1,5-benzodioxepin-3-one

Systemtic Name: 7-(4-methylpentyl)-1,5-benzodioxepin-3-one Openeye Name: 7-isohexyl-1,5-benzodioxepin-3-one CAS Name: 7-(4-methylpentyl)-1,5-benzodioxepin-3-one IUPAC Name: 7-(4-methylpentyl)-1,5-benzodioxepin-3-one Traditional Name: 7-isohexyl-1,5-benzodioxepin-3-one Formula: C15H20O3 MolecularWeight: 248.3175

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC1=CC2=C(C=C1)OCC(=O)CO2

Isomeric SMILES

CC(C)CCCC1=CC2=C(C=C1)OCC(=O)CO2

InChI

InChI=1S/C15H20O3/c1-11(2)4-3-5-12-6-7-14-15(8-12)18-10-13(16)9-17-14/h6-8,11H,3-5,9-10H2,1-2H3