1-pyren-4-ylethanone

Systemtic Name: 1-pyren-4-ylethanone Openeye Name: 1-pyren-4-ylethanone CAS Name: 1-(4-pyrenyl)ethanone IUPAC Name: 1-pyren-4-ylethanone Traditional Name: 1-pyren-4-ylethanone Formula: C18H12O MolecularWeight: 244.28728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=CC=CC3=C2C4=C(C=CC=C14)C=C3

Isomeric SMILES

CC(=O)C1=CC2=CC=CC3=C2C4=C(C=CC=C14)C=C3

InChI

InChI=1S/C18H12O/c1-11(19)16-10-14-6-2-4-12-8-9-13-5-3-7-15(16)18(13)17(12)14/h2-10H,1H3