methyl 2-pyren-1-ylcarbonylbenzoate

Systemtic Name: methyl 2-pyren-1-ylcarbonylbenzoate Openeye Name: methyl 2-(pyrene-1-carbonyl)benzoate CAS Name: 2-[oxo(1-pyrenyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-(pyrene-1-carbonyl)benzoate Traditional Name: 2-(pyrene-1-carbonyl)benzoic acid methyl ester Formula: C25H16O3 MolecularWeight: 364.39274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C25H16O3/c1-28-25(27)21-8-3-2-7-19(21)24(26)20-14-12-17-10-9-15-5-4-6-16-11-13-18(20)23(17)22(15)16/h2-14H,1H3