5-chloranyl-6-ethynyl-1,3-benzodioxole

Systemtic Name: 5-chloranyl-6-ethynyl-1,3-benzodioxole Openeye Name: 5-chloro-6-ethynyl-1,3-benzodioxole CAS Name: 5-chloro-6-ethynyl-1,3-benzodioxole IUPAC Name: 5-chloro-6-ethynyl-1,3-benzodioxole Traditional Name: 5-chloro-6-ethynyl-1,3-benzodioxole Formula: C9H5ClO2 MolecularWeight: 180.5878

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(C=C1Cl)OCO2

Isomeric SMILES

C#CC1=CC2=C(C=C1Cl)OCO2

InChI

InChI=1S/C9H5ClO2/c1-2-6-3-8-9(4-7(6)10)12-5-11-8/h1,3-4H,5H2