2-[10-(dimethylamino)-5-fluoranyl-3-oxidanylidene-benzo[c]xanthen-7-yl]terephthalic acid

Systemtic Name: 2-[10-(dimethylamino)-5-fluoranyl-3-oxidanylidene-benzo[c]xanthen-7-yl]terephthalic acid Openeye Name: 2-[10-(dimethylamino)-5-fluoro-3-oxo-benzo[c]xanthen-7-yl]terephthalic acid CAS Name: 2-[10-(dimethylamino)-5-fluoro-3-oxo-7-benzo[c]xanthenyl]terephthalic acid IUPAC Name: 2-[10-(dimethylamino)-5-fluoro-3-oxobenzo[c]xanthen-7-yl]terephthalic acid Traditional Name: 2-[10-(dimethylamino)-5-fluoro-3-keto-benzo[c]xanthen-7-yl]terephthalic acid Formula: C27H18FNO6 MolecularWeight: 471.433323

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=C3C=C(C4=CC(=O)C=CC4=C3O2)F)C5=C(C=CC(=C5)C(=O)O)C(=O)O

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=C(C4=CC(=O)C=CC4=C3O2)F)C5=C(C=CC(=C5)C(=O)O)C(=O)O

InChI

InChI=1S/C27H18FNO6/c1-29(2)14-4-7-18-23(10-14)35-25-16-8-5-15(30)11-19(16)22(28)12-21(25)24(18)20-9-13(26(31)32)3-6-17(20)27(33)34/h3-12H,1-2H3,(H,31,32)(H,33,34)