5-(3,5-dimethylphenyl)-6-ethynyl-1,3-benzodioxole

Systemtic Name: 5-(3,5-dimethylphenyl)-6-ethynyl-1,3-benzodioxole Openeye Name: 5-(3,5-dimethylphenyl)-6-ethynyl-1,3-benzodioxole CAS Name: 5-(3,5-dimethylphenyl)-6-ethynyl-1,3-benzodioxole IUPAC Name: 5-(3,5-dimethylphenyl)-6-ethynyl-1,3-benzodioxole Traditional Name: 5-(3,5-dimethylphenyl)-6-ethynyl-1,3-benzodioxole Formula: C17H14O2 MolecularWeight: 250.29186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CC3=C(C=C2C#C)OCO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CC3=C(C=C2C#C)OCO3)C

InChI

InChI=1S/C17H14O2/c1-4-13-8-16-17(19-10-18-16)9-15(13)14-6-11(2)5-12(3)7-14/h1,5-9H,10H2,2-3H3