1-phenylbutan-1-one; 1-phenylpropan-2-one

Systemtic Name: 1-phenylbutan-1-one; 1-phenylpropan-2-one Openeye Name: 1-phenylbutan-1-one; 1-phenylpropan-2-one CAS Name: 1-phenyl-1-butanone; 1-phenyl-2-propanone IUPAC Name: 1-phenylbutan-1-one; 1-phenylpropan-2-one Traditional Name: 1-phenylacetone; 1-phenylbutan-1-one Formula: C19H22O2 MolecularWeight: 282.37678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=CC=C1.CC(=O)CC1=CC=CC=C1

Isomeric SMILES

CCCC(=O)C1=CC=CC=C1.CC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C10H12O.C9H10O/c1-2-6-10(11)9-7-4-3-5-8-9;1-8(10)7-9-5-3-2-4-6-9/h3-5,7-8H,2,6H2,1H3;2-6H,7H2,1H3