1-benzo[a]pyren-1-ylpropan-2-one

Systemtic Name: 1-benzo[a]pyren-1-ylpropan-2-one Openeye Name: 1-benzo[a]pyren-1-ylpropan-2-one CAS Name: 1-(1-benzo[a]pyrenyl)-2-propanone IUPAC Name: 1-benzo[a]pyren-1-ylpropan-2-one Traditional Name: 1-benzo[a]pyren-1-ylacetone Formula: C23H16O MolecularWeight: 308.37254

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=C2C=CC3=C4C2=C(C=CC4=CC5=CC=CC=C35)C=C1

Isomeric SMILES

CC(=O)CC1=C2C=CC3=C4C2=C(C=CC4=CC5=CC=CC=C35)C=C1

InChI

InChI=1S/C23H16O/c1-14(24)12-17-8-6-15-7-9-18-13-16-4-2-3-5-19(16)21-11-10-20(17)22(15)23(18)21/h2-11,13H,12H2,1H3