2-methyl-3-methylidene-1-phenyl-octan-1-one

Systemtic Name: 2-methyl-3-methylidene-1-phenyl-octan-1-one Openeye Name: 2-methyl-3-methylene-1-phenyl-octan-1-one CAS Name: 2-methyl-3-methylene-1-phenyl-1-octanone IUPAC Name: 2-methyl-3-methylidene-1-phenyloctan-1-one Traditional Name: 3-amyl-2-methyl-1-phenyl-but-3-en-1-one Formula: C16H22O MolecularWeight: 230.34528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=C)C(C)C(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCC(=C)C(C)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H22O/c1-4-5-7-10-13(2)14(3)16(17)15-11-8-6-9-12-15/h6,8-9,11-12,14H,2,4-5,7,10H2,1,3H3