Glycine, N,N′-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis-, monosodium salt

CAS Registry Number®

77031-64-2

CAS Name

Glycine, N,N′-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis-, monosodium salt

Molecular Formula

C27H28N2O9S.Na

Cite this Page

Glycine, N,N′-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis-, monosodium salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77031-64-2 (retrieved 2024-11-13) (CAS RN: 77031-64-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H28N2O9S.Na/c1-15-7-19(9-17(25(15)34)11-28-13-23(30)31)27(21-5-3-4-6-22(21)39(36,37)38-27)20-8-16(2)26(35)18(10-20)12-29-14-24(32)33;/h3-10,28-29,34-35H,11-14H2,1-2H3,(H,30,31)(H,32,33);

InChIKey

InChIKey=LDFUWGSLFOVFBX-UHFFFAOYSA-N

SMILES

O=S1(=O)OC(C=2C1=CC=CC2)(C3=CC(CNCC(O)=O)=C(O)C(C)=C3)C4=CC(CNCC(O)=O)=C(O)C(C)=C4.[Na]

Canonical SMILES

[Na].O=C(O)CNCC=1C=C(C=C(C1O)C)C2(OS(=O)(=O)C=3C=CC=CC32)C=4C=C(C(O)=C(C4)CNCC(=O)O)C

Other Names for this Substance

  • Glycine, N,N′-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis-, monosodium salt
  • Glycine, N,N′-[3H-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis-, S,S-dioxide, monosodium salt
  • 3H-2,1-Benzoxathiole, glycine deriv.

CAS INSIGHTSTM
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