PONCEAU S

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H12N4O13S4.4Na
Molecular Weight	760.569
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[Na+].[Na+].OC1=C(\N=N\C2=C(C=C(C=C2)\N=N\C3=CC=C(C=C3)S([O-])(=O)=O)S([O-])(=O)=O)C4=C(C=C(C=C4)S([O-])(=O)=O)C=C1S([O-])(=O)=O

InChI

InChIKey=KQHKSGRIBYJYFX-WNDMICSESA-J

InChI=1S/C22H16N4O13S4.4Na/c27-22-20(43(37,38)39)10-12-9-16(41(31,32)33)6-7-17(12)21(22)26-25-18-8-3-14(11-19(18)42(34,35)36)24-23-13-1-4-15(5-2-13)40(28,29)30;;;;/h1-11,27H,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;;/q;4*+1/p-4/b24-23+,26-25+;;;;

HIDE SMILES / InChI

Molecular Formula	C22H12N4O13S4
Molecular Weight	668.61
Charge	-4
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
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 `Fri Dec 15 19:01:32 GMT 2023` Edited by `admin` on `Fri Dec 15 19:01:32 GMT 2023`
Record UNII	T1C2UGS05F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PONCEAU S

Common Name

English

NSC-16216

Code

English

C.I. 27195

Code

English

C.I. ACID RED 112

Common Name

English

2,7-NAPHTHALENEDISULFONIC ACID, 3-HYDROXY-4-(2-(2-SULFO-4-(2-(4-SULFOPHENYL)DIAZENYL)PHENYL)DIAZENYL)-, SODIUM SALT (1:4)

Systematic Name

English

ACID RED 112

Common Name

English

Code System Code Type Description

NSC

16216