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

Systemtic Name: 4-chloranyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butan-1-one Openeye Name: 4-chloro-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butan-1-one CAS Name: 4-chloro-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-butanone IUPAC Name: 4-chloro-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butan-1-one Traditional Name: 4-chloro-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butan-1-one Formula: C13H15ClO3 MolecularWeight: 254.7094

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCCCl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCCCl)OC1

InChI

InChI=1S/C13H15ClO3/c14-6-1-3-11(15)10-4-5-12-13(9-10)17-8-2-7-16-12/h4-5,9H,1-3,6-8H2