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Sodium alpha-(3,5-dibromo-2-methyl-4-oxo-2,5-cyclohexadienylidene)-alpha-(3,5-dibromo-4-hydroxyphenyl)toluenesulphonate
For research use only. Not for therapeutic Use.
Catalog Number | L046999 |
CAS Number | 62625-32-5 |
Molecular Formula | C21H13Br4NaO5S |
Purity | ≥95% |
IUPAC Name | sodium;2-[(Z)-(3,5-dibromo-4-hydroxy-2-methylphenyl)-(3,5-dibromo-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate |
InChI | InChI=1S/C21H14Br4O5S.Na/c1-9-12(7-14(22)20(26)18(9)24)17(11-5-3-4-6-16(11)31(28,29)30)13-8-15(23)21(27)19(25)10(13)2;/h3-8,26H,1-2H3,(H,28,29,30);/q;+1/p-1/b17-13+; |
InChIKey | PZBRPDUUWGYUTE-IWSIBTJSSA-M |
SMILES | CC1=C(C(=C(C=C1C(=C2C=C(C(=O)C(=C2C)Br)Br)C3=CC=CC=C3S(=O)(=O)[O-])Br)O)Br.[Na+] |