3-methyl-1-pyren-1-yl-butan-1-one

Systemtic Name: 3-methyl-1-pyren-1-yl-butan-1-one Openeye Name: 3-methyl-1-pyren-1-yl-butan-1-one CAS Name: 3-methyl-1-(1-pyrenyl)-1-butanone IUPAC Name: 3-methyl-1-pyren-1-ylbutan-1-one Traditional Name: 3-methyl-1-pyren-1-yl-butan-1-one Formula: C21H18O MolecularWeight: 286.36702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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