SODIUM 3-((ETHYL(4-((4-(PHENYLAZO)PHENYL)AZO)PHENYL)AMINO)METHYL)BENZENESULPHONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H24N5O3S.Na
Molecular Weight	521.566
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 3-((ETHYL(4-((4-(PHENYLAZO)PHENYL)AZO)PHENYL)AMINO)METHYL)BENZENESULPHONATE

Structure Search

SMILES

[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C2=CC=C(C=C2)\N=N\C3=CC=C(C=C3)\N=N\C4=CC=CC=C4

InChI

InChIKey=NXCGLXZMZCZBAO-BBEMJUQRSA-M

InChI=1S/C27H25N5O3S.Na/c1-2-32(20-21-7-6-10-27(19-21)36(33,34)35)26-17-15-25(16-18-26)31-30-24-13-11-23(12-14-24)29-28-22-8-4-3-5-9-22;/h3-19H,2,20H2,1H3,(H,33,34,35);/q;+1/p-1/b29-28+,31-30+;

HIDE SMILES / InChI

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

Molecular Formula	C27H24N5O3S
Molecular Weight	498.576
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 `Tue Apr 01 19:17:33 GMT 2025` Edited by `admin` on `Tue Apr 01 19:17:33 GMT 2025`
Record UNII	9G097T7ZJN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM 3-((ETHYL(4-((4-(PHENYLAZO)PHENYL)AZO)PHENYL)AMINO)METHYL)BENZENESULPHONATE

Systematic Name

English

BENZENESULFONIC ACID, 3-((ETHYL(4-((4-(PHENYLAZO)PHENYL)AZO)PHENYL)AMINO)METHYL)-, SODIUM SALT

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID3070757