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5-[1,3-bis(bromanyl)benzo[b]pyren-6-yl]pentan-2-one

5-[1,3-bis(bromanyl)benzo[b]pyren-6-yl]pentan-2-one

Systemtic Name:5-[1,3-bis(bromanyl)benzo[b]pyren-6-yl]pentan-2-one
Openeye Name:5-(1,3-dibromobenzo[b]pyren-6-yl)pentan-2-one
CAS Name:5-(1,3-dibromo-6-benzo[b]pyrenyl)-2-pentanone
IUPAC Name:5-(1,3-dibromobenzo[b]pyren-6-yl)pentan-2-one
Traditional Name:5-(1,3-dibromobenzo[b]pyren-6-yl)pentan-2-one
Formula: C25H18Br2O
MolecularWeight: 494.21782
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C25H18Br2O/c1-14(28)5-4-8-17-15-6-2-3-7-16(15)18-9-11-20-22(26)13-23(27)21-12-10-19(17)24(18)25(20)21/h2-3,6-7,9-13H,4-5,8H2,1H3


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