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Sodium Thymol Blue(62625-21-2) IR1
Product NameSodium Thymol Blue
CAS62625-21-2
Molecular FormulaC27H30O5S.Na
Molecular Weight489.58
InChIInChI=1S/C27H30O5S.Na/c1-15(2)19-13-22(17(5)11-24(19)28)27(21-9-7-8-10-26(21)33(30,31)32-27)23-14-20(16(3)4)25(29)12-18(23)6;/h7-16,28-29H,1-6H3;/q;+1/p-1
InChIKey BAVBEHWEOJMHDS-UHFFFAOYSA-M
SmilesC1(OS(=O)(=O)C2C=CC=CC1=2)(C1=C(C)C=C([O-])C(C(C)C)=C1)C1C(C)=CC(O)=C(C(C)C)C=1.[Na+]
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Spectral Code: IR : KBr disc
