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Details

Stereochemistry RACEMIC
Molecular Formula C35H28N6O10S3
Molecular Weight 788.826
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [ACID ORANGE 63 FREE ACID]

SMILES

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

InChI

InChIKey=VIMSRKLHXNUATO-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/h3-21,34H,1-2H3,(H,43,44,45)(H,46,47,48)/b38-36+,39-37+

HIDE SMILES / InChI

Approval Year