5-benzo[b]pyren-6-ylpentan-2-one

Systemtic Name: 5-benzo[b]pyren-6-ylpentan-2-one Openeye Name: 5-benzo[b]pyren-6-ylpentan-2-one CAS Name: 5-(6-benzo[b]pyrenyl)-2-pentanone IUPAC Name: 5-benzo[b]pyren-6-ylpentan-2-one Traditional Name: 5-benzo[b]pyren-6-ylpentan-2-one Formula: C25H20O MolecularWeight: 336.4257

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51

Isomeric SMILES

CC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51

InChI

InChI=1S/C25H20O/c1-16(26)6-4-11-21-19-9-2-3-10-20(19)22-14-12-17-7-5-8-18-13-15-23(21)25(22)24(17)18/h2-3,5,7-10,12-15H,4,6,11H2,1H3