ethyl 3-oxidanyl-3-pyren-1-yl-propanoate

Systemtic Name: ethyl 3-oxidanyl-3-pyren-1-yl-propanoate Openeye Name: ethyl 3-hydroxy-3-pyren-1-yl-propanoate CAS Name: 3-hydroxy-3-(1-pyrenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-hydroxy-3-pyren-1-ylpropanoate Traditional Name: 3-hydroxy-3-pyren-1-yl-propionic acid ethyl ester Formula: C21H18O3 MolecularWeight: 318.36582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18O3/c1-2-24-19(23)12-18(22)16-10-8-15-7-6-13-4-3-5-14-9-11-17(16)21(15)20(13)14/h3-11,18,22H,2,12H2,1H3