3-chloranyl-6-(2-oxidanylidenepropyl)-6H-benzo[b][1]benzoxepin-5-one

Systemtic Name: 3-chloranyl-6-(2-oxidanylidenepropyl)-6H-benzo[b][1]benzoxepin-5-one Openeye Name: 6-acetonyl-3-chloro-6H-benzo[b][1]benzoxepin-5-one CAS Name: 3-chloro-6-(2-oxopropyl)-6H-benzo[b][1]benzoxepin-5-one IUPAC Name: 3-chloro-6-(2-oxopropyl)-6H-benzo[b][1]benzoxepin-5-one Traditional Name: 6-acetonyl-3-chloro-6H-benzo[b][1]benzoxepin-5-one Formula: C17H13ClO3 MolecularWeight: 300.73632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)Cl

Isomeric SMILES

CC(=O)CC1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)Cl

InChI

InChI=1S/C17H13ClO3/c1-10(19)8-13-12-4-2-3-5-15(12)21-16-7-6-11(18)9-14(16)17(13)20/h2-7,9,13H,8H2,1H3