O1-ethyl O3-(pyren-1-ylmethyl) propanedioate

Systemtic Name: O1-ethyl O3-(pyren-1-ylmethyl) propanedioate Openeye Name: O1-ethyl O3-(pyren-1-ylmethyl) propanedioate CAS Name: propanedioic acid O1-ethyl ester O3-(1-pyrenylmethyl) ester IUPAC Name: 1-O-ethyl 3-O-(pyren-1-ylmethyl) propanedioate Traditional Name: malonic acid O1-ethyl ester O3-(pyren-1-ylmethyl) ester Formula: C22H18O4 MolecularWeight: 346.37592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)OCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CCOC(=O)CC(=O)OCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C22H18O4/c1-2-25-19(23)12-20(24)26-13-17-9-8-16-7-6-14-4-3-5-15-10-11-18(17)22(16)21(14)15/h3-11H,2,12-13H2,1H3