9-fluoranyl-3-(3-methylphenyl)-5,6-dihydrobenzo[b][1,7]phenanthroline-7-carboxylic acid

Systemtic Name: 9-fluoranyl-3-(3-methylphenyl)-5,6-dihydrobenzo[b][1,7]phenanthroline-7-carboxylic acid Openeye Name: 9-fluoro-3-(m-tolyl)-5,6-dihydrobenzo[b][1,7]phenanthroline-7-carboxylic acid CAS Name: 9-fluoro-3-(3-methylphenyl)-5,6-dihydrobenzo[b][1,7]phenanthroline-7-carboxylic acid IUPAC Name: 9-fluoro-3-(3-methylphenyl)-5,6-dihydrobenzo[b][1,7]phenanthroline-7-carboxylic acid Traditional Name: 9-fluoro-3-(m-tolyl)-5,6-dihydrobenzo[b][1,7]phenanthroline-7-carboxylic acid Formula: C24H17FN2O2 MolecularWeight: 384.402383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(C=C2)C4=C(CC3)C(=C5C=C(C=CC5=N4)F)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(C=C2)C4=C(CC3)C(=C5C=C(C=CC5=N4)F)C(=O)O

InChI

InChI=1S/C24H17FN2O2/c1-13-3-2-4-14(11-13)19-9-6-16-20(26-19)10-7-17-22(24(28)29)18-12-15(25)5-8-21(18)27-23(16)17/h2-6,8-9,11-12H,7,10H2,1H3,(H,28,29)