2-(3-azanyl-6-methylidene-xanthen-9-yl)-3,4,5,6-tetrakis(fluoranyl)benzoic acid

Systemtic Name: 2-(3-azanyl-6-methylidene-xanthen-9-yl)-3,4,5,6-tetrakis(fluoranyl)benzoic acid Openeye Name: 2-(3-amino-6-methylene-xanthen-9-yl)-3,4,5,6-tetrafluoro-benzoic acid CAS Name: 2-(3-amino-6-methylene-9-xanthenyl)-3,4,5,6-tetrafluorobenzoic acid IUPAC Name: 2-(3-amino-6-methylidenexanthen-9-yl)-3,4,5,6-tetrafluorobenzoic acid Traditional Name: 2-(3-amino-6-methylene-xanthen-9-yl)-3,4,5,6-tetrafluoro-benzoic acid Formula: C21H11F4NO3 MolecularWeight: 401.310553

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C=CC2=C(C3=C(C=C(C=C3)N)OC2=C1)C4=C(C(=C(C(=C4F)F)F)F)C(=O)O

Isomeric SMILES

C=C1C=CC2=C(C3=C(C=C(C=C3)N)OC2=C1)C4=C(C(=C(C(=C4F)F)F)F)C(=O)O

InChI

InChI=1S/C21H11F4NO3/c1-8-2-4-10-12(6-8)29-13-7-9(26)3-5-11(13)14(10)15-16(21(27)28)18(23)20(25)19(24)17(15)22/h2-7H,1,26H2,(H,27,28)