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

Systemtic Name: 1,3-benzodioxol-5-yl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 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 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 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 1,3-benzodioxol-5-yl ester Formula: C17H13ClO6 MolecularWeight: 348.73452

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4)Cl)OC1

InChI

InChI=1S/C17H13ClO6/c18-12-6-10(7-15-16(12)21-5-1-4-20-15)17(19)24-11-2-3-13-14(8-11)23-9-22-13/h2-3,6-8H,1,4-5,9H2