ORANGE B FREE ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H18N4O9S2
Molecular Weight	546.53
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC(=O)C1=NN(C(O)=C1\N=N\C2=C3C=CC=CC3=C(C=C2)S(O)(=O)=O)C4=CC=C(C=C4)S(O)(=O)=O

InChI

InChIKey=LEQTYJPRFNHOFU-WCWDXBQESA-N

InChI=1S/C22H18N4O9S2/c1-2-35-22(28)20-19(21(27)26(25-20)13-7-9-14(10-8-13)36(29,30)31)24-23-17-11-12-18(37(32,33)34)16-6-4-3-5-15(16)17/h3-12,27H,2H2,1H3,(H,29,30,31)(H,32,33,34)/b24-23+

HIDE SMILES / InChI

Molecular Formula	C22H18N4O9S2
Molecular Weight	546.53
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 08:34:27 GMT 2023` Edited by `admin` on `Sat Dec 16 08:34:27 GMT 2023`
Record UNII	13D01Z5SBP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ORANGE B FREE ACID

Common Name

English

1H-PYRAZOLE-3-CARBOXYLIC ACID, 4,5-DIHYDRO-5-OXO-4-(2-(4-SULFO-1-NAPHTHALENYL)DIAZENYL)-1-(4-SULFOPHENYL)-, 3-ETHYL ESTER

Systematic Name

English

C.I. ACID ORANGE 137 PARENT

Common Name

English

Code System Code Type Description

FDA UNII

13D01Z5SBP

Created by admin on Sat Dec 16 08:34:27 GMT 2023 , Edited by admin on Sat Dec 16 08:34:27 GMT 2023

PRIMARY

CAS

732922-62-2

Created by admin on Sat Dec 16 08:34:27 GMT 2023 , Edited by admin on Sat Dec 16 08:34:27 GMT 2023

PRIMARY

EPA CompTox

DTXSID0044286

Created by admin on Sat Dec 16 08:34:27 GMT 2023 , Edited by admin on Sat Dec 16 08:34:27 GMT 2023

PRIMARY

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