sodium 2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxy-2-methyl-phenyl)-7,7-dioxo-8-oxa-7λ6-thiabicyclo[4.3.0]nona-1,3,5-trien-9-yl]-3-methyl-phenolate
Molecular Formula:
C
21
H
13
Br
4
NaO
5
S
InChI:
InChI=1/C21H14Br4O5S.Na/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21;/h3-8,26-27H,1-2H3;/q;+1/p-1/fC21H13Br4O5S.Na/h26h;/q-1;m
InChIKey:
InChIKey=HEFSGAHJDGZCHA-BXTMBRTJCB
SMILES:
CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)Br)[O-])Br)Br)O)Br.[Na+]
Names:
sodium 2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxy-2-methyl-phenyl)-7,7-dioxo-8-oxa-7λ6-thiabicyclo[4.3.0]nona-1,3,5-trien-9-yl]-3-methyl-phenolate
Registries:
PubChem CID 106786
PubChem ID 10234047