1,8-BIS((4-(1,1-DIMETHYLETHYL)PHENYL)THIO)-4,5-BIS(PHENYLTHIO)ANTHRAQUINONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C46H40O2S4
Molecular Weight	753.069
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,8-BIS((4-(1,1-DIMETHYLETHYL)PHENYL)THIO)-4,5-BIS(PHENYLTHIO)ANTHRAQUINONE

Structure Search

SMILES

CC(C)(C)C1=CC=C(SC2=CC=C(SC3=CC=CC=C3)C4=C2C(=O)C5=C(SC6=CC=C(C=C6)C(C)(C)C)C=CC(SC7=CC=CC=C7)=C5C4=O)C=C1

InChI

InChIKey=HFKWGVOSNHANEH-UHFFFAOYSA-N

InChI=1S/C46H40O2S4/c1-45(2,3)29-17-21-33(22-18-29)51-37-27-25-35(49-31-13-9-7-10-14-31)39-41(37)44(48)42-38(52-34-23-19-30(20-24-34)46(4,5)6)28-26-36(40(42)43(39)47)50-32-15-11-8-12-16-32/h7-28H,1-6H3

HIDE SMILES / InChI

Molecular Formula	C46H40O2S4
Molecular Weight	753.069
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 19:26:52 GMT 2025` Edited by `admin` on `Tue Apr 01 19:26:52 GMT 2025`
Record UNII	OVB19N4PWG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,8-BIS((4-(1,1-DIMETHYLETHYL)PHENYL)THIO)-4,5-BIS(PHENYLTHIO)ANTHRAQUINONE

Common Name

English

9,10-ANTHRACENEDIONE, 1,8-BIS((4-(1,1-DIMETHYLETHYL)PHENYL)THIO)-4,5-BIS(PHENYLTHIO)-

Preferred Name

English

Code System Code Type Description

CAS

84434-36-6