1,5-di(pyren-1-yl)pentan-3-one

Systemtic Name: 1,5-di(pyren-1-yl)pentan-3-one Openeye Name: 1,5-di(pyren-1-yl)pentan-3-one CAS Name: 1,5-bis(1-pyrenyl)-3-pentanone IUPAC Name: 1,5-di(pyren-1-yl)pentan-3-one Traditional Name: 1,5-di(pyren-1-yl)pentan-3-one Formula: C37H26O MolecularWeight: 486.60174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCC(=O)CCC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCC(=O)CCC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5

InChI

InChI=1S/C37H26O/c38-31(19-15-23-7-9-29-13-11-25-3-1-5-27-17-21-32(23)36(29)34(25)27)20-16-24-8-10-30-14-12-26-4-2-6-28-18-22-33(24)37(30)35(26)28/h1-14,17-18,21-22H,15-16,19-20H2