3-[2,4-bis(chloranyl)-6-(hydroxymethyl)phenoxy]azepan-2-one

Systemtic Name: 3-[2,4-bis(chloranyl)-6-(hydroxymethyl)phenoxy]azepan-2-one Openeye Name: 3-[2,4-dichloro-6-(hydroxymethyl)phenoxy]azepan-2-one CAS Name: 3-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-2-azepanone IUPAC Name: 3-[2,4-dichloro-6-(hydroxymethyl)phenoxy]azepan-2-one Traditional Name: 3-(2,4-dichloro-6-methylol-phenoxy)azepan-2-one Formula: C13H15Cl2NO3 MolecularWeight: 304.1691

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2CO)Cl)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2CO)Cl)Cl

InChI

InChI=1S/C13H15Cl2NO3/c14-9-5-8(7-17)12(10(15)6-9)19-11-3-1-2-4-16-13(11)18/h5-6,11,17H,1-4,7H2,(H,16,18)