2-pyren-1-ylethyl ethanoate

Systemtic Name: 2-pyren-1-ylethyl ethanoate Openeye Name: 2-pyren-1-ylethyl acetate CAS Name: acetic acid 2-(1-pyrenyl)ethyl ester IUPAC Name: 2-pyren-1-ylethyl acetate Traditional Name: acetic acid 2-pyren-1-ylethyl ester Formula: C20H16O2 MolecularWeight: 288.33984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CC(=O)OCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C20H16O2/c1-13(21)22-12-11-14-5-6-17-8-7-15-3-2-4-16-9-10-18(14)20(17)19(15)16/h2-10H,11-12H2,1H3