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Thymolphthalein Complexone(1913-93-5) IR2
Product NameThymolphthalein Complexone
CAS1913-93-5
Molecular FormulaC38H44N2O12
Molecular Weight720.76
InChIInChI=1S/C38H40N2O12/c1-17(2)22-11-25-19(5)31(33(22)49)36(25,39(13-27(41)42)14-28(43)44)38(24-10-8-7-9-21(24)35(51)52-38)37(40(15-29(45)46)16-30(47)48)26-12-23(18(3)4)34(50)32(37)20(26)6/h7-12,17-18,49-50H,13-16H2,1-6H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)
InChIKey NZIWSFHUYHLWFE-UHFFFAOYSA-N
SmilesC1(C2(N(CC(O)=O)CC(O)=O)C3=C(O)C(C(C)C)=CC2=C3C)(C2(N(CC(O)=O)CC(O)=O)C3=C(O)C(C(C)C)=CC2=C3C)C2=C(C=CC=C2)C(=O)O1
