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Substance Name: 1-Thio-alpha-tocopherol
RN: 133869-30-4
InChIKey: PHDCNCCBUMXPPQ-CEFNRUSXSA-N

Molecular Formula

  • C31-H52-O2-S

Molecular Weight

  • 488.816
 
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Names and Synonyms

Name of Substance

  • 1-Thio-alpha-tocopherol

Systematic Name

  • 2H-1-Benzothiopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, (2R*(4R*,8R*))-(+-)-

Registry Numbers

CAS Registry Number

  • 133869-30-4

System Generated Number

  • 0133869304

Structure Descriptors

InChI

InChI=1S/C31H52O2S/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1

InChIKey

PHDCNCCBUMXPPQ-CEFNRUSXSA-N

Smiles

CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(OC(=O)C)c(C)c(C)c2S1