Catalog Number:
AG002YAM
Chemical Name:
Glycine, N,N'-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[(6-hydroxy-2,5-dimethyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-, sodium salt (1:1)
CAS Number:
29412-85-9
Molecular Formula:
C33H35N2NaO13S
Molecular Weight:
722.6914
MDL Number:
MFCD00065250
IUPAC Name:
sodium;2-[[5-[3-[[bis(carboxymethyl)amino]methyl]-2,2-dioxo-1,2λ6-benzoxathiol-3-yl]-2-hydroxy-3,6-dimethylphenyl]methyl-(carboxymethyl)amino]acetic acid;hydroxide
InChI:
InChI=1S/C25H28N2O12S.Na.H2O/c1-14-7-18(15(2)16(24(14)36)8-26(9-20(28)29)10-21(30)31)25(13-27(11-22(32)33)12-23(34)35)17-5-3-4-6-19(17)39-40(25,37)38;;/h3-7,36H,8-13H2,1-2H3,(H,28,29)(H,30,31)(H,32,33)(H,34,35);;1H2/q;+1;/p-1
InChI Key:
VYPGOJHOWVUMIQ-UHFFFAOYSA-M
SMILES:
[O-]C(=O)CN(Cc1c(O)c(C)cc(c1C)C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(c(c1C)CN(CC(=O)O)CC(=O)O)O)CC(=O)O.[Na+]
