Benzenesulfonic acid, 3-[[4-[(4-hydroxy-3-methylphenyl)azo]-3-methoxyphenyl]azo]-, monosodium salt

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H17N4O5S.Na
Molecular Weight	448.428
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of Benzenesulfonic acid, 3-[[4-[(4-hydroxy-3-methylphenyl)azo]-3-methoxyphenyl]azo]-, monosodium salt

Structure Search

SMILES

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

InChI

InChIKey=QCSGCRNTKFFEPD-HQHRKKNHSA-M

InChI=1S/C20H18N4O5S.Na/c1-13-10-15(7-9-19(13)25)23-24-18-8-6-16(12-20(18)29-2)22-21-14-4-3-5-17(11-14)30(26,27)28;/h3-12,25H,1-2H3,(H,26,27,28);/q;+1/p-1/b22-21+,24-23+;

HIDE SMILES / InChI

Molecular Formula	C20H17N4O5S
Molecular Weight	425.438
Charge	-1
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 `Sat Dec 16 12:32:43 GMT 2023` Edited by `admin` on `Sat Dec 16 12:32:43 GMT 2023`
Record UNII	8BC3N7P29S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzenesulfonic acid, 3-[[4-[(4-hydroxy-3-methylphenyl)azo]-3-methoxyphenyl]azo]-, monosodium salt

Common Name

English

Benzenesulfonic acid, 3-[2-[4-[2-(4-hydroxy-3-methylphenyl)diazenyl]-3-methoxyphenyl]diazenyl]-, sodium salt (1:1)

Systematic Name

English

Benzenesulfonic acid, 3-[2-[4-[2-(4-hydroxy-3-methylphenyl)diazenyl]-3-methoxyphenyl]diazenyl]-, sodium salt

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID2066303