diethyl 2-(pyren-4-ylmethyl)propanedioate

Systemtic Name: diethyl 2-(pyren-4-ylmethyl)propanedioate Openeye Name: diethyl 2-(pyren-4-ylmethyl)propanedioate CAS Name: 2-(4-pyrenylmethyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(pyren-4-ylmethyl)propanedioate Traditional Name: 2-(pyren-4-ylmethyl)malonic acid diethyl ester Formula: C24H22O4 MolecularWeight: 374.42908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=CC=CC3=C2C4=C(C=CC=C14)C=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=CC2=CC=CC3=C2C4=C(C=CC=C14)C=C3)C(=O)OCC

InChI

InChI=1S/C24H22O4/c1-3-27-23(25)20(24(26)28-4-2)14-18-13-17-9-5-7-15-11-12-16-8-6-10-19(18)22(16)21(15)17/h5-13,20H,3-4,14H2,1-2H3