SPADNS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H9N2O11S3.3Na
Molecular Weight	570.414
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[Na+].OC1=C2C(=CC(=C1)S([O-])(=O)=O)C=C(C(\N=N\C3=CC=C(C=C3)S([O-])(=O)=O)=C2O)S([O-])(=O)=O

InChI

InChIKey=AEHGQXKBQBMQEK-GLCFPVLVSA-K

InChI=1S/C16H12N2O11S3.3Na/c19-12-7-11(31(24,25)26)5-8-6-13(32(27,28)29)15(16(20)14(8)12)18-17-9-1-3-10(4-2-9)30(21,22)23;;;/h1-7,19-20H,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b18-17+;;;

HIDE SMILES / InChI

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

Molecular Formula	C16H9N2O11S3
Molecular Weight	501.444
Charge	-3
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 02:35:07 GMT 2023` Edited by `admin` on `Sat Dec 16 02:35:07 GMT 2023`
Record UNII	8C9EXU0M2M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SPADNS

Common Name

English

4,5-DIHYDROXY-3-(2-(4-SULFOPHENYL)DIAZENYL)-2,7-NAPHTHALENEDISULFONIC ACID SODIUM SALT (1:3)

Common Name

English

SPADNS [MI]

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

245-803-9