dimethyl 2-pyren-1-ylpropanedioate

Systemtic Name: dimethyl 2-pyren-1-ylpropanedioate Openeye Name: dimethyl 2-pyren-1-ylpropanedioate CAS Name: 2-(1-pyrenyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-pyren-1-ylpropanedioate Traditional Name: 2-pyren-1-ylmalonic acid dimethyl ester Formula: C21H16O4 MolecularWeight: 332.34934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)OC

Isomeric SMILES

COC(=O)C(C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)OC

InChI

InChI=1S/C21H16O4/c1-24-20(22)19(21(23)25-2)16-11-9-14-7-6-12-4-3-5-13-8-10-15(16)18(14)17(12)13/h3-11,19H,1-2H3