bis(pyren-1-ylmethyl) 2,2-bis(hydroxymethyl)propanedioate

Systemtic Name: bis(pyren-1-ylmethyl) 2,2-bis(hydroxymethyl)propanedioate Openeye Name: bis(pyren-1-ylmethyl) 2,2-bis(hydroxymethyl)propanedioate CAS Name: 2,2-bis(hydroxymethyl)propanedioic acid bis(1-pyrenylmethyl) ester IUPAC Name: bis(pyren-1-ylmethyl) 2,2-bis(hydroxymethyl)propanedioate Traditional Name: 2,2-dimethylolmalonic acid bis(pyren-1-ylmethyl) ester Formula: C39H28O6 MolecularWeight: 592.63602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)COC(=O)C(CO)(CO)C(=O)OCC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)COC(=O)C(CO)(CO)C(=O)OCC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5

InChI

InChI=1S/C39H28O6/c40-21-39(22-41,37(42)44-19-29-13-11-27-9-7-23-3-1-5-25-15-17-31(29)35(27)33(23)25)38(43)45-20-30-14-12-28-10-8-24-4-2-6-26-16-18-32(30)36(28)34(24)26/h1-18,40-41H,19-22H2