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Details

Stereochemistry ACHIRAL
Molecular Formula C35H28N6O10S3
Molecular Weight 788.8306
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of ACID ORANGE 63 FREE ACID

SMILES

CC1=NN(C(O)=C1\N=N\C2=CC=C(C=C2)C3=CC(=C(C=C3)\N=N\C4=CC=C(OS(=O)(=O)C5=CC=C(C)C=C5)C=C4)S(O)(=O)=O)C6=CC=C(C=C6)S(O)(=O)=O

InChI

InChIKey=QEYHXQASCSZGMY-NFSGFYSESA-N
InChI=1S/C35H28N6O10S3/c1-22-3-16-31(17-4-22)54(49,50)51-29-14-10-27(11-15-29)36-38-32-20-7-25(21-33(32)53(46,47)48)24-5-8-26(9-6-24)37-39-34-23(2)40-41(35(34)42)28-12-18-30(19-13-28)52(43,44)45/h3-21,42H,1-2H3,(H,43,44,45)(H,46,47,48)/b38-36+,39-37+

HIDE SMILES / InChI

Molecular Formula C35H28N6O10S3
Molecular Weight 788.8306
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
EN3818YE41
Record Status FAILED
Record Version