Methylthymol blue

Molecular Formula: C₃₇H₄₀N₂Na₄O₁₃S

InChI: InChI=1/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,46,47);;;;/q;4*+1/p-4/fC37H40N2O13S.4Na/q-4;4m

InChIKey: InChIKey=DIZZDZCUMBBRSG-RGFBSGQACY
SMILES: CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)CN(CC(=O)[O-])CC(=O)[O-])O)C(C)C)C(C)C)O)CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Names:
    EINECS 217-743-3
    Glycine, N,N'-((1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis((6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, tetrasodium salt
    Glycine, N,N'-(3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, S,S-dioxide, tetrasodium salt
    Methylthymol blue
    NSC 74311
    Tetrasodium N,N'-(3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-isopropyl-2-methylphen-3,1-ylene)methylene))bis(N-(carboxylatomethyl)aminoacetate) S,S-dioxide
    tetrasodium 2-[[5-[9-[3-[(bis(carboxylatomethyl)amino)methyl]-4-hydroxy-2-methyl-5-propan-2-yl-phenyl]-7,7-dioxo-8-oxa-7λ6-thiabicyclo[4.3.0]nona-1,3,5-trien-9-yl]-2-hydroxy-6-methyl-3-propan-2-yl-phenyl]methyl-(carboxylatomethyl)amino]acetate
    1945-77-3
    4310-80-9

Registries:
    PubChem CID 73037
    PubChem ID 215279