phenacyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: phenacyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: phenacyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid phenacyl ester IUPAC Name: phenacyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid phenacyl ester Formula: C18H15ClO5 MolecularWeight: 346.7617

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OCC(=O)C3=CC=CC=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OCC(=O)C3=CC=CC=C3)Cl)OC1

InChI

InChI=1S/C18H15ClO5/c19-14-9-13(10-16-17(14)23-8-4-7-22-16)18(21)24-11-15(20)12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2