diethyl 2-(pyren-1-ylmethyl)propanedioate

Systemtic Name: diethyl 2-(pyren-1-ylmethyl)propanedioate Openeye Name: diethyl 2-(pyren-1-ylmethyl)propanedioate CAS Name: 2-(1-pyrenylmethyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(pyren-1-ylmethyl)propanedioate Traditional Name: 2-(pyren-1-ylmethyl)malonic acid diethyl ester Formula: C24H22O4 MolecularWeight: 374.42908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)OCC

InChI

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