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bis(pyren-1-ylmethyl) propanedioate

bis(pyren-1-ylmethyl) propanedioate

Systemtic Name:bis(pyren-1-ylmethyl) propanedioate
Openeye Name:bis(pyren-1-ylmethyl) propanedioate
CAS Name:propanedioic acid bis(1-pyrenylmethyl) ester
IUPAC Name:bis(pyren-1-ylmethyl) propanedioate
Traditional Name:malonic acid bis(pyren-1-ylmethyl) ester
Formula: C37H24O4
MolecularWeight: 532.58406
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Descriptors Computed from Structure

Canonical SMILES:

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


InChI

InChI=1S/C37H24O4/c38-32(40-20-28-13-11-26-9-7-22-3-1-5-24-15-17-30(28)36(26)34(22)24)19-33(39)41-21-29-14-12-27-10-8-23-4-2-6-25-16-18-31(29)37(27)35(23)25/h1-18H,19-21H2


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