Benzenesulfonic acid, 3-[[4-[(4-hydroxyphenyl)azo]-5-methoxy-2-methylphenyl]azo]-4-methoxy-, monosodium salt

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H19N4O6S.Na
Molecular Weight	478.454
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of Benzenesulfonic acid, 3-[[4-[(4-hydroxyphenyl)azo]-5-methoxy-2-methylphenyl]azo]-4-methoxy-, monosodium salt

Structure Search

SMILES

[Na+].COC1=CC=C(C=C1\N=N\C2=CC(OC)=C(C=C2C)\N=N\C3=CC=C(O)C=C3)S([O-])(=O)=O

InChI

InChIKey=FAFWAUHJVYRPSU-ZDWKHXMKSA-M

InChI=1S/C21H20N4O6S.Na/c1-13-10-18(24-22-14-4-6-15(26)7-5-14)21(31-3)12-17(13)23-25-19-11-16(32(27,28)29)8-9-20(19)30-2;/h4-12,26H,1-3H3,(H,27,28,29);/q;+1/p-1/b24-22+,25-23+;

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	C21H19N4O6S
Molecular Weight	455.464
Charge	-1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:35:14 GMT 2023` Edited by `admin` on `Sat Dec 16 12:35:14 GMT 2023`
Record UNII	C2VN38HV8R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzenesulfonic acid, 3-[[4-[(4-hydroxyphenyl)azo]-5-methoxy-2-methylphenyl]azo]-4-methoxy-, monosodium salt

Common Name

English

Benzenesulfonic acid, 3-[2-[4-[2-(4-hydroxyphenyl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-4-methoxy-, sodium salt

Systematic Name

English

Benzenesulfonic acid, 3-[2-[4-[2-(4-hydroxyphenyl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-4-methoxy-, sodium salt (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

135764844