Tetrakis(tert-dodecylthio)-p-benzoquinone

Details

Stereochemistry	ACHIRAL
Molecular Formula	C54H100O2S4
Molecular Weight	909.631
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Tetrakis(tert-dodecylthio)-p-benzoquinone

Structure Search

SMILES

CCCCCCCCCC(C)(C)SC1=C(SC(C)(C)CCCCCCCCC)C(=O)C(SC(C)(C)CCCCCCCCC)=C(SC(C)(C)CCCCCCCCC)C1=O

InChI

InChIKey=YCHIUOKVRFFMMP-UHFFFAOYSA-N

InChI=1S/C54H100O2S4/c1-13-17-21-25-29-33-37-41-51(5,6)57-47-45(55)49(59-53(9,10)43-39-35-31-27-23-19-15-3)50(60-54(11,12)44-40-36-32-28-24-20-16-4)46(56)48(47)58-52(7,8)42-38-34-30-26-22-18-14-2/h13-44H2,1-12H3

HIDE SMILES / InChI

Molecular Formula	C54H100O2S4
Molecular Weight	909.631
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 `Tue Apr 01 19:07:17 GMT 2025` Edited by `admin` on `Tue Apr 01 19:07:17 GMT 2025`
Record UNII	M9CW7ES3AT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Tetrakis(tert-dodecylthio)-p-benzoquinone

Common Name

English

2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrakis(tert-dodecylthio)-

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID10200372