DISODIUM 5-((4-((((4-((3-CARBOXYLATO-4-HYDROXYPHENYL)AZO)PHENYL)AMINO)CARBONYL)AMINO)PHENYL)AZO)-3-METHYLSALICYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H20N6O7.2Na
Molecular Weight	598.4739
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of DISODIUM 5-((4-((((4-((3-CARBOXYLATO-4-HYDROXYPHENYL)AZO)PHENYL)AMINO)CARBONYL)AMINO)PHENYL)AZO)-3-METHYLSALICYLATE

Structure Search

SMILES

[Na+].[Na+].CC1=CC(=CC(C([O-])=O)=C1O)\N=N\C2=CC=C(NC(=O)NC3=CC=C(C=C3)\N=N\C4=CC=C(O)C(=C4)C([O-])=O)C=C2

InChI

InChIKey=AUMQNJSSSLVXEE-KZIIJSKASA-L

InChI=1S/C28H22N6O7.2Na/c1-15-12-21(14-23(25(15)36)27(39)40)34-32-19-8-4-17(5-9-19)30-28(41)29-16-2-6-18(7-3-16)31-33-20-10-11-24(35)22(13-20)26(37)38;;/h2-14,35-36H,1H3,(H,37,38)(H,39,40)(H2,29,30,41);;/q;2*+1/p-2/b33-31+,34-32+;;

HIDE SMILES / InChI

Molecular Formula	C28H20N6O7
Molecular Weight	552.4944
Charge	-2
Count

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

Molecular Formula	Na
Molecular Weight	22.98976928
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 `Tue Apr 01 16:58:22 GMT 2025` Edited by `admin` on `Tue Apr 01 16:58:22 GMT 2025`
Record UNII	Z3B2F0E8HX
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BENZOIC ACID, 5-((4-((((4-((3-CARBOXY-4-HYDROXYPHENYL)AZO)PHENYL)AMINO)CARBONYL)AMINO)PHENYL)AZO)-2-HYDROXY-3-METHYL-, DISODIUM SALT

Preferred Name

English

DISODIUM 5-((4-((((4-((3-CARBOXYLATO-4-HYDROXYPHENYL)AZO)PHENYL)AMINO)CARBONYL)AMINO)PHENYL)AZO)-3-METHYLSALICYLATE

Systematic Name

English

Code System Code Type Description

FDA UNII

Z3B2F0E8HX

Created by admin on Tue Apr 01 16:58:22 GMT 2025 , Edited by admin on Tue Apr 01 16:58:22 GMT 2025

PRIMARY

CAS

67874-60-6

Created by admin on Tue Apr 01 16:58:22 GMT 2025 , Edited by admin on Tue Apr 01 16:58:22 GMT 2025

PRIMARY

ECHA (EC/EINECS)

267-487-1

Created by admin on Tue Apr 01 16:58:22 GMT 2025 , Edited by admin on Tue Apr 01 16:58:22 GMT 2025

PRIMARY

EPA CompTox

DTXSID4070742

Created by admin on Tue Apr 01 16:58:22 GMT 2025 , Edited by admin on Tue Apr 01 16:58:22 GMT 2025

PRIMARY