BTB(34722-90-2) IR1
Molecular FormulaC27H29Br2NaO5S
Molecular Weight648.38
InChIInChI=1S/C27H28Br2O5S.Na.H/c1-13(2)17-11-20(15(5)23(28)25(17)30)27(19-9-7-8-10-22(19)35(32,33)34-27)21-12-18(14(3)4)26(31)24(29)16(21)6;;/h7-14,30-31H,1-6H3;;
InChIKey HEHUTNZKZDGCNY-UHFFFAOYSA-N
SmilesCC1C(=C(O)C(C(C)C)=CC=1C1(C2C=C(C(C)C)C(O)=C(Br)C=2C)OS(=O)(=O)C2C=CC=CC1=2)Br.[NaH]