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Details

Stereochemistry ACHIRAL
Molecular Formula C35H31N3O9S2
Molecular Weight 701.765
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 5-(BENZOYLAMINO)-3-(2-(2-(2-CYCLOHEXYLPHENOXY)PHENYL)DIAZENYL)-4-HYDROXY-2,7-NAPHTHALENEDISULFONIC ACID

SMILES

OC1=C(\N=N\C2=CC=CC=C2OC3=C(C=CC=C3)C4CCCCC4)C(=CC5=C1C(NC(=O)C6=CC=CC=C6)=CC(=C5)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=OEGNZGHSJLQMPP-HEFFKOSUSA-N
InChI=1S/C35H31N3O9S2/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)/b38-37+

HIDE SMILES / InChI

Molecular Formula C35H31N3O9S2
Molecular Weight 701.765
Charge 0
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 Sat Dec 16 09:44:51 GMT 2023
Edited
by admin
on Sat Dec 16 09:44:51 GMT 2023
Record UNII
3O4K69B049
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(BENZOYLAMINO)-3-(2-(2-(2-CYCLOHEXYLPHENOXY)PHENYL)DIAZENYL)-4-HYDROXY-2,7-NAPHTHALENEDISULFONIC ACID
Common Name English
2,7-NAPHTHALENEDISULFONIC ACID, 5-(BENZOYLAMINO)-3-((2-(2-CYCLOHEXYLPHENOXY)PHENYL)AZO)-4-HYDROXY-
Systematic Name English
2,7-NAPHTHALENEDISULFONIC ACID, 5-(BENZOYLAMINO)-3-(2-(2-(2-CYCLOHEXYLPHENOXY)PHENYL)DIAZENYL)-4-HYDROXY-
Common Name English
Code System Code Type Description
FDA UNII
3O4K69B049
Created by admin on Sat Dec 16 09:44:51 GMT 2023 , Edited by admin on Sat Dec 16 09:44:51 GMT 2023
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CAS
178261-58-0
Created by admin on Sat Dec 16 09:44:51 GMT 2023 , Edited by admin on Sat Dec 16 09:44:51 GMT 2023
PRIMARY
PUBCHEM
6336954
Created by admin on Sat Dec 16 09:44:51 GMT 2023 , Edited by admin on Sat Dec 16 09:44:51 GMT 2023
PRIMARY