3-(1,3-benzodioxol-5-yl)-6-chloranyl-5-oxidanylidene-hexanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-6-chloranyl-5-oxidanylidene-hexanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-6-chloro-5-oxo-hexanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-6-chloro-5-oxohexanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-6-chloro-5-oxohexanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-6-chloro-5-keto-hexanoic acid Formula: C13H13ClO5 MolecularWeight: 284.69232

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)CCl)CC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)CCl)CC(=O)O

InChI

InChI=1S/C13H13ClO5/c14-6-10(15)3-9(5-13(16)17)8-1-2-11-12(4-8)19-7-18-11/h1-2,4,9H,3,5-7H2,(H,16,17)