(E)-4-(6-ethynylcyclohepta-1,3,5-trien-1-yl)-3-methyl-but-3-en-2-one

Systemtic Name: (E)-4-(6-ethynylcyclohepta-1,3,5-trien-1-yl)-3-methyl-but-3-en-2-one Openeye Name: (E)-4-(6-ethynylcyclohepta-1,3,5-trien-1-yl)-3-methyl-but-3-en-2-one CAS Name: (E)-4-(6-ethynyl-1-cyclohepta-1,3,5-trienyl)-3-methyl-3-buten-2-one IUPAC Name: (E)-4-(6-ethynylcyclohepta-1,3,5-trien-1-yl)-3-methylbut-3-en-2-one Traditional Name: (E)-4-(6-ethynylcyclohepta-1,3,5-trien-1-yl)-3-methyl-but-3-en-2-one Formula: C14H14O MolecularWeight: 198.26036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C(C1)C#C)C(=O)C

Isomeric SMILES

C/C(=C\C1=CC=CC=C(C1)C#C)/C(=O)C

InChI

InChI=1S/C14H14O/c1-4-13-7-5-6-8-14(10-13)9-11(2)12(3)15/h1,5-9H,10H2,2-3H3/b11-9+