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Details

Stereochemistry ACHIRAL
Molecular Formula C21H23ClN4O8S
Molecular Weight 526.947
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DISPERSE RED 193

SMILES

CC(=O)OCCN(CCOC(C)=O)C1=CC=C(N=NC2=CC=C(C=C2S(C)(=O)=O)[N+]([O-])=O)C(Cl)=C1

InChI

InChIKey=ZWZLLAMBXRZLQM-WCWDXBQESA-N
InChI=1S/C21H23ClN4O8S/c1-14(27)33-10-8-25(9-11-34-15(2)28)16-4-6-19(18(22)12-16)23-24-20-7-5-17(26(29)30)13-21(20)35(3,31)32/h4-7,12-13H,8-11H2,1-3H3/b24-23+

HIDE SMILES / InChI

Molecular Formula C21H23ClN4O8S
Molecular Weight 526.947
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
ZUG3QLY8SL
Record Status Validated (UNII)
Record Version