Thymolphthalexone
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Product Description
Product
Thymolphthalexone
CAS
1913-93-5
Formula
C38H44N2O12
Typical Product Specifications
Molecular weight
720.77
SMILES
Cc1c(cc(c(c1C[NH+](CC(=O)O)CC(=O)[O-])O)C(C)C)C2(c3ccccc3C(=O)O2)c4cc(c(c(c4C)C[NH+](CC(=O)O)CC(=O)[O-])O)C(C)C
InChI
AGXCADFSYJNMEG-UHFFFAOYSA-N
InChIKey
1S/C38H44N2O12/c1-19(2)24-11-29(21(5)26(35(24)49)13-39(15-31(41)42)16-32(43)44)38(28-10-8-7-9-23(28)37(51)52-38)30-12-25(20(3)4)36(50)27(22(30)6)14-40(17-33(45)46)18-34(47)48/h7-12,19-20,49-50H,13-18H2,1-6H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)
Chemical Structure
Class
Thymolphthalexone
Product Description
Product
Thymolphthalexone
CAS
1913-93-5
Formula
C38H44N2O12
Typical Product Specifications
Molecular weight
720.77
SMILES
Cc1c(cc(c(c1C[NH+](CC(=O)O)CC(=O)[O-])O)C(C)C)C2(c3ccccc3C(=O)O2)c4cc(c(c(c4C)C[NH+](CC(=O)O)CC(=O)[O-])O)C(C)C
InChI
AGXCADFSYJNMEG-UHFFFAOYSA-N
InChIKey
1S/C38H44N2O12/c1-19(2)24-11-29(21(5)26(35(24)49)13-39(15-31(41)42)16-32(43)44)38(28-10-8-7-9-23(28)37(51)52-38)30-12-25(20(3)4)36(50)27(22(30)6)14-40(17-33(45)46)18-34(47)48/h7-12,19-20,49-50H,13-18H2,1-6H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)
Chemical Structure
Class
