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

Systemtic Name: phenyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: phenyl 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 phenyl ester IUPAC Name: phenyl 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 phenyl ester Formula: C16H13ClO4 MolecularWeight: 304.72502

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OC3=CC=CC=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OC3=CC=CC=C3)Cl)OC1

InChI

InChI=1S/C16H13ClO4/c17-13-9-11(10-14-15(13)20-8-4-7-19-14)16(18)21-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8H2