sodium 2-[(E)-(3-bromo-4-hydroxy-5-methyl-phenyl)-(3-bromo-5-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonate
Molecular Formula:
C
21
H
15
Br
2
NaO
5
S
InChI:
InChI=1/C21H16Br2O5S.Na/c1-11-7-13(9-16(22)20(11)24)19(14-8-12(2)21(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28;/h3-10,24H,1-2H3,(H,26,27,28);/q;+1/p-1/b19-14+;/fC21H15Br2O5S.Na/q-1;m
InChIKey:
InChIKey=KVSJYIXUWNOWBD-XVEYEQGTDN
SMILES:
CC1=CC(=C(C2=CC=CC=C2S(=O)(=O)[O-])C3=CC(=C(C(=C3)Br)O)C)C=C(C1=O)Br.[Na+]
Names:
sodium 2-[(E)-(3-bromo-4-hydroxy-5-methyl-phenyl)-(3-bromo-5-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonate
Registries:
PubChem CID 6433041
PubChem ID 11620254