(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 1,3-benzodioxole-5-carboxylate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C18H15ClO6 MolecularWeight: 362.7611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClO6/c19-13-6-11(7-16-17(13)22-5-1-4-21-16)9-23-18(20)12-2-3-14-15(8-12)25-10-24-14/h2-3,6-8H,1,4-5,9-10H2