4-(3,5-dioctoxyphenyl)-5-fluoranyl-isoindole-1,3-dione

Systemtic Name: 4-(3,5-dioctoxyphenyl)-5-fluoranyl-isoindole-1,3-dione Openeye Name: 4-(3,5-dioctoxyphenyl)-5-fluoro-isoindoline-1,3-dione CAS Name: 4-(3,5-dioctoxyphenyl)-5-fluoroisoindole-1,3-dione IUPAC Name: 4-(3,5-dioctoxyphenyl)-5-fluoroisoindole-1,3-dione Traditional Name: 4-(3,5-dioctoxyphenyl)-5-fluoro-isoindoline-1,3-quinone Formula: C30H40FNO4 MolecularWeight: 497.641303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=CC(=C1)C2=C(C=CC3=C2C(=O)NC3=O)F)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC(=CC(=C1)C2=C(C=CC3=C2C(=O)NC3=O)F)OCCCCCCCC

InChI

InChI=1S/C30H40FNO4/c1-3-5-7-9-11-13-17-35-23-19-22(20-24(21-23)36-18-14-12-10-8-6-4-2)27-26(31)16-15-25-28(27)30(34)32-29(25)33/h15-16,19-21H,3-14,17-18H2,1-2H3,(H,32,33,34)