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Details

Stereochemistry ACHIRAL
Molecular Formula C42H32O2S4
Molecular Weight 696.962
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-[[4-(1,1-Dimethylethyl)phenyl]thio]-4,5,8-tris(phenylthio)-9,10-anthracenedione

SMILES

CC(C)(C)C1=CC=C(SC2=C3C(=O)C4=C(SC5=CC=CC=C5)C=CC(SC6=CC=CC=C6)=C4C(=O)C3=C(SC7=CC=CC=C7)C=C2)C=C1

InChI

InChIKey=ABHXLCBSTASDKL-UHFFFAOYSA-N
InChI=1S/C42H32O2S4/c1-42(2,3)27-19-21-31(22-20-27)48-35-26-25-34(47-30-17-11-6-12-18-30)38-39(35)41(44)37-33(46-29-15-9-5-10-16-29)24-23-32(36(37)40(38)43)45-28-13-7-4-8-14-28/h4-26H,1-3H3

HIDE SMILES / InChI

Molecular Formula C42H32O2S4
Molecular Weight 696.962
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:24:00 GMT 2025
Edited
by admin
on Wed Apr 02 21:24:00 GMT 2025
Record UNII
YF5RBC53SW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-[[4-(1,1-Dimethylethyl)phenyl]thio]-4,5,8-tris(phenylthio)-9,10-anthracenedione
Systematic Name English
1-(4-tert-Butylphenyl)sulfanyl-4,5,8-tris(phenylsulfanyl)anthracene-9,10-dione
Preferred Name English
1-[[4-(1,1-Dimethylethyl)phenyl]thio]-4,5,8-tris(phenylthio)anthraquinone
Systematic Name English
Code System Code Type Description
CAS
83929-63-9
Created by admin on Wed Apr 02 21:24:00 GMT 2025 , Edited by admin on Wed Apr 02 21:24:00 GMT 2025
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FDA UNII
YF5RBC53SW
Created by admin on Wed Apr 02 21:24:00 GMT 2025 , Edited by admin on Wed Apr 02 21:24:00 GMT 2025
PRIMARY
PUBCHEM
16205396
Created by admin on Wed Apr 02 21:24:00 GMT 2025 , Edited by admin on Wed Apr 02 21:24:00 GMT 2025
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EPA CompTox
DTXSID401004106
Created by admin on Wed Apr 02 21:24:00 GMT 2025 , Edited by admin on Wed Apr 02 21:24:00 GMT 2025
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