2-[2,7-dimethyl-3-[3,3,3-tris(fluoranyl)propylamino]-6-[3,3,3-tris(fluoranyl)propylimino]xanthen-9-yl]benzoic acid

Systemtic Name: 2-[2,7-dimethyl-3-[3,3,3-tris(fluoranyl)propylamino]-6-[3,3,3-tris(fluoranyl)propylimino]xanthen-9-yl]benzoic acid Openeye Name: 2-[2,7-dimethyl-3-(3,3,3-trifluoropropylamino)-6-(3,3,3-trifluoropropylimino)xanthen-9-yl]benzoic acid CAS Name: 2-[2,7-dimethyl-3-(3,3,3-trifluoropropylamino)-6-(3,3,3-trifluoropropylimino)-9-xanthenyl]benzoic acid IUPAC Name: 2-[2,7-dimethyl-3-(3,3,3-trifluoropropylamino)-6-(3,3,3-trifluoropropylimino)xanthen-9-yl]benzoic acid Traditional Name: 2-[2,7-dimethyl-3-(3,3,3-trifluoropropylamino)-6-(3,3,3-trifluoropropylimino)xanthen-9-yl]benzoic acid Formula: C28H24F6N2O3 MolecularWeight: 550.492179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=NCCC(F)(F)F)NCCC(F)(F)F)C)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=NCCC(F)(F)F)NCCC(F)(F)F)C)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C28H24F6N2O3/c1-15-11-19-23(13-21(15)35-9-7-27(29,30)31)39-24-14-22(36-10-8-28(32,33)34)16(2)12-20(24)25(19)17-5-3-4-6-18(17)26(37)38/h3-6,11-14,35H,7-10H2,1-2H3,(H,37,38)