2,4,5,7-Tetrabromo-3,6-fluorandiol

2,4,5,7-Tetrabromo-3,6-fluorandiol



Chemical identification
CAS identifier548-26-5
Pubchem identifier11048
DSSTox identifierDTXSID901015574
IUPAC namedisodium 2-(2,4,5,7-tetrabromo-3-oxido-6-oxoxanthen-9-yl)benzoate
Structure2,4,5,7-Tetrabromo-3,6-fluorandiol

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
SMILES[O-]C(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)[O-].[Na+].[Na+]
InChIInChI=1S/C20H8Br4O5.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2
InChIKeySEACYXSIPDVVMV-UHFFFAOYSA-L

Chemical classification
KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzopyrans
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