CAS No. 1945-77-3

Chemical Identifiers

Linear Formula	C₃₇H₄₀N₂O₁₃SNa₄
Pubchem CID	73037
MDL Number	MFCD00148905
EC No.	217-743-3
IUPAC Name	tetrasodium; 2-[[5-[3-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxylatomethyl)amino]acetate
SMILES	[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CC([O-])=O)Cc1c(O)c(cc(c1C)C3(OS(=O)(=O)c2ccccc23)c4cc(c(O)c(c4C)CN(CC([O-])=O)CC([O-])=O)C(C)C)C(C)C
InchI Identifier	InChI=1S/C37H44N2O13S.4Na/c1-19(2)23-11-28(21(5)25(35(23)48)13-38(15-31(40)41)16-32(42)43)37(27-9-7-8-10-30(27)53(50,51)52-37)29-12-24(20(3)4)36(49)26(22(29)6)14-39(17-33(44)45)18-34(46)47;;;;/h7-12,19-20,48-49H,13-18H2,1-6H3,(H,40,41)(H,42,43)(H,44,45)(H
InchI Key	DIZZDZCUMBBRSG-UHFFFAOYSA-J