1-benzo[a]pyren-1-ylethanone

Systemtic Name: 1-benzo[a]pyren-1-ylethanone Openeye Name: 1-benzo[a]pyren-1-ylethanone CAS Name: 1-(1-benzo[a]pyrenyl)ethanone IUPAC Name: 1-benzo[a]pyren-1-ylethanone Traditional Name: 1-benzo[a]pyren-1-ylethanone Formula: C22H14O MolecularWeight: 294.34596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C2C=CC3=C4C2=C(C=CC4=CC5=CC=CC=C35)C=C1

Isomeric SMILES

CC(=O)C1=C2C=CC3=C4C2=C(C=CC4=CC5=CC=CC=C35)C=C1

InChI

InChI=1S/C22H14O/c1-13(23)17-9-8-14-6-7-16-12-15-4-2-3-5-18(15)20-11-10-19(17)21(14)22(16)20/h2-12H,1H3