REACTIVE YELLOW 15 FREE ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H22N4O11S3
Molecular Weight	590.604
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of REACTIVE YELLOW 15 FREE ACID

Structure Search

SMILES

COC1=CC(=C(C)C=C1\N=N\C2=C(O)N(N=C2C)C3=CC=C(C=C3)S(O)(=O)=O)S(=O)(=O)CCOS(O)(=O)=O

InChI

InChIKey=MMQOQSHSDWSKMA-QURGRASLSA-N

InChI=1S/C20H22N4O11S3/c1-12-10-16(17(34-3)11-18(12)36(26,27)9-8-35-38(31,32)33)21-22-19-13(2)23-24(20(19)25)14-4-6-15(7-5-14)37(28,29)30/h4-7,10-11,25H,8-9H2,1-3H3,(H,28,29,30)(H,31,32,33)/b22-21+

HIDE SMILES / InChI

Molecular Formula	C20H22N4O11S3
Molecular Weight	590.604
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 11:37:51 GMT 2023` Edited by `admin` on `Sat Dec 16 11:37:51 GMT 2023`
Record UNII	86T8V2HHLV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

REACTIVE YELLOW 15 FREE ACID

Common Name

English

BENZENESULFONIC ACID, 4-(4,5-DIHYDRO-4-(2-(2-METHOXY-5-METHYL-4-((2-(SULFOOXY)ETHYL)SULFONYL)PHENYL)DIAZENYL)-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)-

Systematic Name

English

4-(4,5-DIHYDRO-4-((2-METHOXY-5-METHYL-4-((2-(SULFOOXY)ETHYL)SULFONYL)PHENYL)AZO)-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)BENZENESULFONIC ACID

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

262-538-4

Created by admin on Sat Dec 16 11:37:51 GMT 2023 , Edited by admin on Sat Dec 16 11:37:51 GMT 2023

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EPA CompTox

DTXSID50866835

Created by admin on Sat Dec 16 11:37:51 GMT 2023 , Edited by admin on Sat Dec 16 11:37:51 GMT 2023

PRIMARY

CAS

60958-41-0

Created by admin on Sat Dec 16 11:37:51 GMT 2023 , Edited by admin on Sat Dec 16 11:37:51 GMT 2023

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FDA UNII

86T8V2HHLV

Created by admin on Sat Dec 16 11:37:51 GMT 2023 , Edited by admin on Sat Dec 16 11:37:51 GMT 2023

PRIMARY

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