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Substance Name: Phenol, 4,4'-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis(3-methyl-, sodium salt (1:1)
RN: 62625-31-4
InChIKey: ALWHNCXHKCVHCK-UHFFFAOYSA-M

Molecular Formula

  • C21-H18-O5-S.Na

Molecular Weight

  • 404.416
 
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Names and Synonyms

Synonym

  • EINECS 263-656-9

Systematic Names

  • Phenol, 4,4'-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis(3-methyl-, monosodium salt
  • Phenol, 4,4'-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis(3-methyl-, sodium salt (1:1)
  • Sodium hydrogen 4,4'-(3H-1,2-benzoxathiol-3-ylidene)bis(3-methylphenolate) S,S-dioxide

Registry Numbers

CAS Registry Number

  • 62625-31-4

System Generated Number

  • 0062625314

Molecular Formulas

Molecular Formula

  • C21-H18-O5-S.Na

Molecular Formula Fragments

  • C21-H18-O5-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H18O5S.Na/c1-13-11-15(22)7-9-17(13)21(18-10-8-16(23)12-14(18)2)19-5-3-4-6-20(19)27(24,25)26-21;/h3-12,22-23H,1-2H3;/q;+1/p-1

InChIKey

ALWHNCXHKCVHCK-UHFFFAOYSA-M

Smiles

c12c([C@@](OS2(=O)=O)(c2c(cc([O-])cc2)C)c2ccc(O)cc2C)cccc1.[Na+]