2,2'-((4-((2-(METHYLSULPHONYL)-4-NITROPHENYL)AZO)-M-TOLYL)IMINO)BISETHYL DIACETATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H26N4O8S
Molecular Weight	506.529
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2,2'-((4-((2-(METHYLSULPHONYL)-4-NITROPHENYL)AZO)-M-TOLYL)IMINO)BISETHYL DIACETATE

Structure Search

SMILES

CC(=O)OCCN(CCOC(C)=O)C1=CC(C)=C(C=C1)\N=N\C2=CC=C(C=C2S(C)(=O)=O)[N+]([O-])=O

InChI

InChIKey=AGNWOVTXIOJMKI-WCWDXBQESA-N

InChI=1S/C22H26N4O8S/c1-15-13-18(25(9-11-33-16(2)27)10-12-34-17(3)28)5-7-20(15)23-24-21-8-6-19(26(29)30)14-22(21)35(4,31)32/h5-8,13-14H,9-12H2,1-4H3/b24-23+

HIDE SMILES / InChI

Molecular Formula	C22H26N4O8S
Molecular Weight	506.529
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:57:27 GMT 2023` Edited by `admin` on `Sat Dec 16 16:57:27 GMT 2023`
Record UNII	D5R79O0MWV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,2'-((4-((2-(METHYLSULPHONYL)-4-NITROPHENYL)AZO)-M-TOLYL)IMINO)BISETHYL DIACETATE

Systematic Name

English

ETHANOL, 2,2'-((3-METHYL-4-((2-(METHYLSULFONYL)-4-NITROPHENYL)AZO)PHENYL)IMINO)BIS-, DIACETATE (ESTER)

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID6067466

Created by admin on Sat Dec 16 16:57:27 GMT 2023 , Edited by admin on Sat Dec 16 16:57:27 GMT 2023

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CAS

29426-52-6

Created by admin on Sat Dec 16 16:57:27 GMT 2023 , Edited by admin on Sat Dec 16 16:57:27 GMT 2023

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ECHA (EC/EINECS)

249-621-0

Created by admin on Sat Dec 16 16:57:27 GMT 2023 , Edited by admin on Sat Dec 16 16:57:27 GMT 2023

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FDA UNII

D5R79O0MWV

Created by admin on Sat Dec 16 16:57:27 GMT 2023 , Edited by admin on Sat Dec 16 16:57:27 GMT 2023

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