2-[3-azanyl-6-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]carbonylamino]-9H-xanthen-9-yl]-6-oxidanyl-benzoic acid

Systemtic Name: 2-[3-azanyl-6-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]carbonylamino]-9H-xanthen-9-yl]-6-oxidanyl-benzoic acid Openeye Name: 2-[3-amino-6-[(2,3,4,5,6-pentafluorobenzoyl)amino]-9H-xanthen-9-yl]-6-hydroxy-benzoic acid CAS Name: 2-[3-amino-6-[[oxo-(2,3,4,5,6-pentafluorophenyl)methyl]amino]-9H-xanthen-9-yl]-6-hydroxybenzoic acid IUPAC Name: 2-[3-amino-6-[(2,3,4,5,6-pentafluorobenzoyl)amino]-9H-xanthen-9-yl]-6-hydroxybenzoic acid Traditional Name: 2-[3-amino-6-[(2,3,4,5,6-pentafluorobenzoyl)amino]-9H-xanthen-9-yl]-6-hydroxy-benzoic acid Formula: C27H15F5N2O5 MolecularWeight: 542.410416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)O)C(=O)O)C2C3=C(C=C(C=C3)N)OC4=C2C=CC(=C4)NC(=O)C5=C(C(=C(C(=C5F)F)F)F)F

Isomeric SMILES

C1=CC(=C(C(=C1)O)C(=O)O)C2C3=C(C=C(C=C3)N)OC4=C2C=CC(=C4)NC(=O)C5=C(C(=C(C(=C5F)F)F)F)F

InChI

InChI=1S/C27H15F5N2O5/c28-21-20(22(29)24(31)25(32)23(21)30)26(36)34-11-5-7-13-17(9-11)39-16-8-10(33)4-6-12(16)18(13)14-2-1-3-15(35)19(14)27(37)38/h1-9,18,35H,33H2,(H,34,36)(H,37,38)