5-pyren-1-ylpentan-2-one

Systemtic Name: 5-pyren-1-ylpentan-2-one Openeye Name: 5-pyren-1-ylpentan-2-one CAS Name: 5-(1-pyrenyl)-2-pentanone IUPAC Name: 5-pyren-1-ylpentan-2-one Traditional Name: 5-pyren-1-ylpentan-2-one Formula: C21H18O MolecularWeight: 286.36702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C21H18O/c1-14(22)4-2-5-15-8-9-18-11-10-16-6-3-7-17-12-13-19(15)21(18)20(16)17/h3,6-13H,2,4-5H2,1H3