diethyl 2-pyren-1-ylpentanedioate

Systemtic Name: diethyl 2-pyren-1-ylpentanedioate Openeye Name: diethyl 2-pyren-1-ylpentanedioate CAS Name: 2-(1-pyrenyl)pentanedioic acid diethyl ester IUPAC Name: diethyl 2-pyren-1-ylpentanedioate Traditional Name: 2-pyren-1-ylglutaric acid diethyl ester Formula: C25H24O4 MolecularWeight: 388.45566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24O4/c1-3-28-22(26)15-14-21(25(27)29-4-2)19-12-10-18-9-8-16-6-5-7-17-11-13-20(19)24(18)23(16)17/h5-13,21H,3-4,14-15H2,1-2H3