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Details

Stereochemistry ACHIRAL
Molecular Formula C34H24N6O11S2
Molecular Weight 756.718
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of DIRECT ORANGE 29 FREE ACID

SMILES

OC(=O)C1=CC=CC(=C1)\N=N\C2=C(O)C3=CC=C(NC(=O)NC4=CC5=CC(=C(\N=N\C6=CC=CC=C6)C(O)=C5C=C4)S(O)(=O)=O)C=C3C=C2S(O)(=O)=O

InChI

InChIKey=LHZXQEFDPQKZLS-HVMBLDELSA-N
InChI=1S/C34H24N6O11S2/c41-31-25-11-9-22(14-19(25)16-27(52(46,47)48)29(31)39-37-21-6-2-1-3-7-21)35-34(45)36-23-10-12-26-20(15-23)17-28(53(49,50)51)30(32(26)42)40-38-24-8-4-5-18(13-24)33(43)44/h1-17,41-42H,(H,43,44)(H2,35,36,45)(H,46,47,48)(H,49,50,51)/b39-37+,40-38+

HIDE SMILES / InChI

Molecular Formula C34H24N6O11S2
Molecular Weight 756.718
Charge 0
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 Sat Dec 16 10:50:38 GMT 2023
Edited
by admin
on Sat Dec 16 10:50:38 GMT 2023
Record UNII
6XT4HPY7FQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIRECT ORANGE 29 FREE ACID
Common Name English
BENZOIC ACID, 3-((1-HYDROXY-6-((((5-HYDROXY-6-(PHENYLAZO)-7-SULFO-2-NAPHTHALENYL)AMINO)CARBONYL)AMINO)-3-SULFO-2-NAPHTHALENYL)AZO)-
Systematic Name English
C.I. DIRECT ORANGE 29 (FREE ACID)
Common Name English
BENZOIC ACID, 3-(2-(1-HYDROXY-6-((((5-HYDROXY-6-(2-PHENYLDIAZENYL)-7-SULFO-2-NAPHTHALENYL)AMINO)CARBONYL)AMINO)-3-SULFO-2-NAPHTHALENYL)DIAZENYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
5998453
Created by admin on Sat Dec 16 10:50:38 GMT 2023 , Edited by admin on Sat Dec 16 10:50:38 GMT 2023
PRIMARY
FDA UNII
6XT4HPY7FQ
Created by admin on Sat Dec 16 10:50:38 GMT 2023 , Edited by admin on Sat Dec 16 10:50:38 GMT 2023
PRIMARY
CAS
25255-09-8
Created by admin on Sat Dec 16 10:50:38 GMT 2023 , Edited by admin on Sat Dec 16 10:50:38 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
Related Record Type Details
SALT/SOLVATE -> PARENT