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Details

Stereochemistry RACEMIC
Molecular Formula C29H37Cl2N5O9S2
Molecular Weight 734.668
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [ACID YELLOW 218 FREE ACID]

SMILES

CCCCCCCCCCCCOC(=O)NC1=CC=C(C(=C1)\N=N\C2C(=O)N(N=C2C)C3=C(Cl)C=C(C(Cl)=C3)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=YVZIKAFWVRGMOX-JEIPZWNWSA-N
InChI=1S/C29H37Cl2N5O9S2/c1-3-4-5-6-7-8-9-10-11-12-15-45-29(38)32-20-13-14-25(46(39,40)41)23(16-20)33-34-27-19(2)35-36(28(27)37)24-17-22(31)26(18-21(24)30)47(42,43)44/h13-14,16-18,27H,3-12,15H2,1-2H3,(H,32,38)(H,39,40,41)(H,42,43,44)/b34-33+

HIDE SMILES / InChI

Molecular Formula C29H35Cl2N5O9S2
Molecular Weight 732.652
Charge -2
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:52:40 GMT 2025
Edited
by admin
on Wed Apr 02 05:52:40 GMT 2025
Record UNII
RSU453L57M
Record Status alternative
Record Version
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Related Record Type Details
Primary Definition