4-benzo[b]pyren-6-ylbutan-2-one

Systemtic Name: 4-benzo[b]pyren-6-ylbutan-2-one Openeye Name: 4-benzo[b]pyren-6-ylbutan-2-one CAS Name: 4-(6-benzo[b]pyrenyl)-2-butanone IUPAC Name: 4-benzo[b]pyren-6-ylbutan-2-one Traditional Name: 4-benzo[b]pyren-6-ylbutan-2-one Formula: C24H18O MolecularWeight: 322.39912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51

Isomeric SMILES

CC(=O)CCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51

InChI

InChI=1S/C24H18O/c1-15(25)9-12-20-18-7-2-3-8-19(18)21-13-10-16-5-4-6-17-11-14-22(20)24(21)23(16)17/h2-8,10-11,13-14H,9,12H2,1H3