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Details

Stereochemistry RACEMIC
Molecular Formula C20H32O4S
Molecular Weight 368.531
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SC-45662

SMILES

C[C@@H](OCC(O)=O)[C@H](C)SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C

InChI

InChIKey=ADVNUIUADIXWMI-OLZOCXBDSA-N
InChI=1S/C20H32O4S/c1-12(24-11-17(21)22)13(2)25-14-9-15(19(3,4)5)18(23)16(10-14)20(6,7)8/h9-10,12-13,23H,11H2,1-8H3,(H,21,22)/t12-,13+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H32O4S
Molecular Weight 368.531
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:00:58 GMT 2023
Edited
by admin
on Sat Dec 16 05:00:58 GMT 2023
Record UNII
TPG7IO601I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SC-45662
Code English
ACETIC ACID, 2-((1R,2S)-2-((3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)THIO)-1-METHYLPROPOXY)-, REL-
Systematic Name English
ACETIC ACID, (2-((3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)THIO)-1-METHYLPROPOXY)-, (R*,S*)-(±)-
Systematic Name English
Code System Code Type Description
CAS
135133-84-5
Created by admin on Sat Dec 16 05:00:58 GMT 2023 , Edited by admin on Sat Dec 16 05:00:58 GMT 2023
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FDA UNII
TPG7IO601I
Created by admin on Sat Dec 16 05:00:58 GMT 2023 , Edited by admin on Sat Dec 16 05:00:58 GMT 2023
PRIMARY
PUBCHEM
5487420
Created by admin on Sat Dec 16 05:00:58 GMT 2023 , Edited by admin on Sat Dec 16 05:00:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID60928892
Created by admin on Sat Dec 16 05:00:58 GMT 2023 , Edited by admin on Sat Dec 16 05:00:58 GMT 2023
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