5-[(E)-4-phenylbut-1-en-3-ynyl]-1,3-benzodioxole

Systemtic Name: 5-[(E)-4-phenylbut-1-en-3-ynyl]-1,3-benzodioxole Openeye Name: 5-[(E)-4-phenylbut-1-en-3-ynyl]-1,3-benzodioxole CAS Name: 5-[(E)-4-phenylbut-1-en-3-ynyl]-1,3-benzodioxole IUPAC Name: 5-[(E)-4-phenylbut-1-en-3-ynyl]-1,3-benzodioxole Traditional Name: 5-[(E)-4-phenylbut-1-en-3-ynyl]-1,3-benzodioxole Formula: C17H12O2 MolecularWeight: 248.27598

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC#CC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C#CC3=CC=CC=C3

InChI

InChI=1S/C17H12O2/c1-2-6-14(7-3-1)8-4-5-9-15-10-11-16-17(12-15)19-13-18-16/h1-3,5-7,9-12H,13H2/b9-5+