3-propylpyrrole-2,5-dione; pyrene

Systemtic Name: 3-propylpyrrole-2,5-dione; pyrene Openeye Name: 3-propylpyrrole-2,5-dione; pyrene CAS Name: 3-propylpyrrole-2,5-dione; pyrene IUPAC Name: 3-propylpyrrole-2,5-dione; pyrene Traditional Name: 3-propyl-3-pyrroline-2,5-quinone; pyrene Formula: C23H19NO2 MolecularWeight: 341.40246

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)NC1=O.C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2

Isomeric SMILES

CCCC1=CC(=O)NC1=O.C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2

InChI

InChI=1S/C16H10.C7H9NO2/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-2-3-5-4-6(9)8-7(5)10/h1-10H;4H,2-3H2,1H3,(H,8,9,10)