ethyl 4-pyren-1-ylbenzoate

Systemtic Name: ethyl 4-pyren-1-ylbenzoate Openeye Name: ethyl 4-pyren-1-ylbenzoate CAS Name: 4-(1-pyrenyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-pyren-1-ylbenzoate Traditional Name: 4-pyren-1-ylbenzoic acid ethyl ester Formula: C25H18O2 MolecularWeight: 350.40922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C25H18O2/c1-2-27-25(26)20-10-6-16(7-11-20)21-14-12-19-9-8-17-4-3-5-18-13-15-22(21)24(19)23(17)18/h3-15H,2H2,1H3