7-phenylbicyclo[3.2.1]octa-1(8),2,4-trien-6-one; propan-2-one

Systemtic Name: 7-phenylbicyclo[3.2.1]octa-1(8),2,4-trien-6-one; propan-2-one Openeye Name: acetone; 7-phenylbicyclo[3.2.1]octa-1(8),2,4-trien-6-one CAS Name: 7-phenyl-6-bicyclo[3.2.1]octa-1(8),2,4-trienone; 2-propanone IUPAC Name: 7-phenylbicyclo[3.2.1]octa-1(8),2,4-trien-6-one; propan-2-one Traditional Name: acetone; 7-phenylbicyclo[3.2.1]octa-1(8),2,4-trien-6-one Formula: C17H16O2 MolecularWeight: 252.30774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C.C1=CC=C(C=C1)C2C3=CC=CC(=C3)C2=O

Isomeric SMILES

CC(=O)C.C1=CC=C(C=C1)C2C3=CC=CC(=C3)C2=O

InChI

InChI=1S/C14H10O.C3H6O/c15-14-12-8-4-7-11(9-12)13(14)10-5-2-1-3-6-10;1-3(2)4/h1-9,13H;1-2H3