8-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid

Systemtic Name: 8-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid Openeye Name: 8-chloro-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid CAS Name: 8-chloro-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxylic acid IUPAC Name: 8-chloro-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid Traditional Name: 8-chloro-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxylic acid Formula: C10H9ClO4 MolecularWeight: 228.62906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9ClO4/c11-6-4-7(10(12)13)9-8(5-6)14-2-1-3-15-9/h4-5H,1-3H2,(H,12,13)