5-[(E)-4-(2-methoxyphenyl)but-1-en-3-ynyl]-1,3-benzodioxole

Systemtic Name: 5-[(E)-4-(2-methoxyphenyl)but-1-en-3-ynyl]-1,3-benzodioxole Openeye Name: 5-[(E)-4-(2-methoxyphenyl)but-1-en-3-ynyl]-1,3-benzodioxole CAS Name: 5-[(E)-4-(2-methoxyphenyl)but-1-en-3-ynyl]-1,3-benzodioxole IUPAC Name: 5-[(E)-4-(2-methoxyphenyl)but-1-en-3-ynyl]-1,3-benzodioxole Traditional Name: 5-[(E)-4-(2-methoxyphenyl)but-1-en-3-ynyl]-1,3-benzodioxole Formula: C18H14O3 MolecularWeight: 278.30196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C#CC=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=CC=CC=C1C#C/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H14O3/c1-19-16-9-5-4-8-15(16)7-3-2-6-14-10-11-17-18(12-14)21-13-20-17/h2,4-6,8-12H,13H2,1H3/b6-2+