Catalog Number:
AG009AHD
Chemical Name:
Thymolphthalein monophosphate disodium salt hydrate
CAS Number:
123359-43-3
Molecular Formula:
C28H31Na2O8P
Molecular Weight:
572.4942
MDL Number:
MFCD00149380
IUPAC Name:
disodium;[4-[1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] phosphate;hydrate
InChI:
InChI=1S/C28H31O7P.2Na.H2O/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(30)34-28)24-14-21(16(3)4)26(12-18(24)6)35-36(31,32)33;;;/h7-16,29H,1-6H3,(H2,31,32,33);;;1H2/q;2*+1;/p-2
InChI Key:
VXAAAGIFNPRCKZ-UHFFFAOYSA-L
SMILES:
Cc1cc(OP(=O)([O-])[O-])c(cc1C1(OC(=O)c2c1cccc2)c1cc(C(C)C)c(cc1C)O)C(C)C.O.[Na+].[Na+]
