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

Systemtic Name: 5-ethynyl-6-(phenylmethyl)-1,3-benzodioxole Openeye Name: 5-benzyl-6-ethynyl-1,3-benzodioxole CAS Name: 5-ethynyl-6-(phenylmethyl)-1,3-benzodioxole IUPAC Name: 5-benzyl-6-ethynyl-1,3-benzodioxole Traditional Name: 5-benzyl-6-ethynyl-1,3-benzodioxole Formula: C16H12O2 MolecularWeight: 236.26528

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(C=C1CC3=CC=CC=C3)OCO2

Isomeric SMILES

C#CC1=CC2=C(C=C1CC3=CC=CC=C3)OCO2

InChI

InChI=1S/C16H12O2/c1-2-13-9-15-16(18-11-17-15)10-14(13)8-12-6-4-3-5-7-12/h1,3-7,9-10H,8,11H2