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

Systemtic Name: (2S)-2-chloranyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-one Openeye Name: (2S)-2-chloro-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-one CAS Name: (2S)-2-chloro-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-propanone IUPAC Name: (2S)-2-chloro-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-one Traditional Name: (2S)-2-chloro-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-one Formula: C12H13ClO3 MolecularWeight: 240.68282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)OCCCO2)Cl

InChI

InChI=1S/C12H13ClO3/c1-8(13)12(14)9-3-4-10-11(7-9)16-6-2-5-15-10/h3-4,7-8H,2,5-6H2,1H3/t8-/m0/s1