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Substance Name: EINECS 263-650-6
RN: 62625-21-2
InChIKey: BAVBEHWEOJMHDS-UHFFFAOYSA-M

Molecular Formula

  • C27-H30-O5-S.Na

Molecular Weight

  • 488.577
 
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Names and Synonyms

Results Name

  • EINECS 263-650-6

Synonyms

  • EINECS 263-650-6
  • Thymol blue sodium salt
  • Thymol Blue, water soluble

Systematic Names

  • Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)-, monosodium salt
  • Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)-, sodium salt (1:1)
  • Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)-, S,S-dioxide, monosodium salt
  • Sodium hydrogen 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)phenolate) S,S-dioxide

Registry Numbers

CAS Registry Number

  • 62625-21-2

Other Registry Numbers

  • 405159-13-9
  • 81012-93-3

Related Registry Number

  • 76-61-9 (Parent)

System Generated Number

  • 0062625212

Molecular Formulas

Molecular Formula

  • C27-H30-O5-S.Na

Molecular Formula Fragments

  • C27-H30-O5-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H30O5S.Na/c1-15(2)19-13-22(17(5)11-24(19)28)27(21-9-7-8-10-26(21)33(30,31)32-27)23-14-20(16(3)4)25(29)12-18(23)6;/h7-16,28-29H,1-6H3;/q;+1/p-1

InChIKey

BAVBEHWEOJMHDS-UHFFFAOYSA-M

Smiles

c12S(=O)(=O)O[C@@](c3c(C)cc([O-])c(C(C)C)c3)(c3c(C)cc(O)c(C(C)C)c3)c1cccc2.[Na+]