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Details

Stereochemistry ACHIRAL
Molecular Formula C35H29N3O9S2.2Na
Molecular Weight 745.729
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DISODIUM 5-(BENZOYLAMINO)-3-((2-(2-CYCLOHEXYLPHENOXY)PHENYL)AZO)-4-HYDROXYNAPHTHALENE-2,7-DISULFONATE

SMILES

[Na+].[Na+].OC1=C2C(NC(=O)C3=CC=CC=C3)=CC(=CC2=CC(=C1\N=N\C4=C(OC5=CC=CC=C5C6CCCCC6)C=CC=C4)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=KQTYMFGDOQCFRT-XPPIURIRSA-L
InChI=1S/C35H31N3O9S2.2Na/c39-34-32-24(19-25(48(41,42)43)21-28(32)36-35(40)23-13-5-2-6-14-23)20-31(49(44,45)46)33(34)38-37-27-16-8-10-18-30(27)47-29-17-9-7-15-26(29)22-11-3-1-4-12-22;;/h2,5-10,13-22,39H,1,3-4,11-12H2,(H,36,40)(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2/b38-37+;;

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 C35H29N3O9S2
Molecular Weight 699.749
Charge -2
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 Mon Mar 31 21:50:08 GMT 2025
Edited
by admin
on Mon Mar 31 21:50:08 GMT 2025
Record UNII
17S7Z9OU85
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
J318.846I
Preferred Name English
DISODIUM 5-(BENZOYLAMINO)-3-((2-(2-CYCLOHEXYLPHENOXY)PHENYL)AZO)-4-HYDROXYNAPHTHALENE-2,7-DISULFONATE
Common Name English
3-((2-(2-CYCLOHEXYLPHENOXY)PHENYL)AZO)-4-HYDROXY-5-BENZAMIDONAPHTHALENE-2,7-DISULFONIC ACID, SODIUM SALT
Common Name English
2,7-NAPHTHALENEDISULFONIC ACID, 5-(BENZOYLAMINO)-3-(2-(2-(2-CYCLOHEXYLPHENOXY)PHENYL)DIAZENYL)-4-HYDROXY-, SODIUM SALT (1:2)
Systematic Name English
2,7-NAPHTHALENEDISULFONIC ACID, 5-(BENZOYLAMINO)-3-((2-(2-CYCLOHEXYLPHENOXY)PHENYL)AZO)-4-HYDROXY-, DISODIUM SALT
Common Name English
5-(BENZOYLAMINO)-3-((2-(2-CYCLOHEXYLPHENOXY)PHENYL)AZO)-4-HYDROXY-2,7-NAPHTHALENEDISULFONIC ACID DISODIUM SALT
Systematic Name English
DISODIUM 5-(BENZOYLAMINO)-3-((2-(2-CYCLOHEXYLPHENOXY)PHENYL)AZO)-4-HYDROXYNAPHTHALENE-2,7-DISULPHONATE
Systematic Name English
Code System Code Type Description
FDA UNII
17S7Z9OU85
Created by admin on Mon Mar 31 21:50:08 GMT 2025 , Edited by admin on Mon Mar 31 21:50:08 GMT 2025
PRIMARY
EPA CompTox
DTXSID2041381
Created by admin on Mon Mar 31 21:50:08 GMT 2025 , Edited by admin on Mon Mar 31 21:50:08 GMT 2025
PRIMARY
CAS
72828-83-2
Created by admin on Mon Mar 31 21:50:08 GMT 2025 , Edited by admin on Mon Mar 31 21:50:08 GMT 2025
PRIMARY
ECHA (EC/EINECS)
276-890-1
Created by admin on Mon Mar 31 21:50:08 GMT 2025 , Edited by admin on Mon Mar 31 21:50:08 GMT 2025
PRIMARY