1-[2-fluoranyl-4-(4-hexylphenoxy)phenyl]pyrrole-2,5-dione

Systemtic Name: 1-[2-fluoranyl-4-(4-hexylphenoxy)phenyl]pyrrole-2,5-dione Openeye Name: 1-[2-fluoro-4-(4-hexylphenoxy)phenyl]pyrrole-2,5-dione CAS Name: 1-[2-fluoro-4-(4-hexylphenoxy)phenyl]pyrrole-2,5-dione IUPAC Name: 1-[2-fluoro-4-(4-hexylphenoxy)phenyl]pyrrole-2,5-dione Traditional Name: 1-[2-fluoro-4-(4-hexylphenoxy)phenyl]-3-pyrroline-2,5-quinone Formula: C22H22FNO3 MolecularWeight: 367.413383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OC2=CC(=C(C=C2)N3C(=O)C=CC3=O)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OC2=CC(=C(C=C2)N3C(=O)C=CC3=O)F

InChI

InChI=1S/C22H22FNO3/c1-2-3-4-5-6-16-7-9-17(10-8-16)27-18-11-12-20(19(23)15-18)24-21(25)13-14-22(24)26/h7-15H,2-6H2,1H3