Methylthymol Blue

CAS Registry Number®

1945-77-3

CAS Name

Methylthymol Blue

Molecular Formula

C37H44N2O13S.4Na

Cite this Page

Methylthymol Blue.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1945-77-3 (retrieved 2024-11-22) (CAS RN: 1945-77-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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,46,47);;;;

InChIKey

InChIKey=LGVVZVZPOQJZKT-UHFFFAOYSA-N

SMILES

CC1=C(C2(C=3C(S(=O)(=O)O2)=CC=CC3)C4=C(C)C(CN(CC(O)=O)CC(O)=O)=C(O)C(C(C)C)=C4)C=C(C(C)C)C(O)=C1CN(CC(O)=O)CC(O)=O.[Na]

Canonical SMILES

[Na].O=C(O)CN(CC(=O)O)CC=1C(O)=C(C=C(C1C)C2(OS(=O)(=O)C=3C=CC=CC32)C4=CC(=C(O)C(=C4C)CN(CC(=O)O)CC(=O)O)C(C)C)C(C)C

Other Names for this Substance

  • 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)-, sodium salt (1:4)
  • Methylthymol Blue
  • Acetic acid, [3H-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-isopropyl-2-methyl-m-phenylene)methylenenitrilo]]tetra-, S,S-dioxide, 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
  • 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

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