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1-benzo[b]pyren-6-ylpentan-3-one

1-benzo[b]pyren-6-ylpentan-3-one

Systemtic Name:1-benzo[b]pyren-6-ylpentan-3-one
Openeye Name:1-benzo[b]pyren-6-ylpentan-3-one
CAS Name:1-(6-benzo[b]pyrenyl)-3-pentanone
IUPAC Name:1-benzo[b]pyren-6-ylpentan-3-one
Traditional Name:1-benzo[b]pyren-6-ylpentan-3-one
Formula: C25H20O
MolecularWeight: 336.4257
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C25H20O/c1-2-18(26)12-15-21-19-8-3-4-9-20(19)22-13-10-16-6-5-7-17-11-14-23(21)25(22)24(16)17/h3-11,13-14H,2,12,15H2,1H3


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