U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C26H27ClN4O8S
Molecular Weight 591.033
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PIGMENT YELLOW 97

SMILES

COC1=CC(Cl)=C(OC)C=C1NC(=O)C(\N=N\C2=CC(OC)=C(C=C2OC)S(=O)(=O)NC3=CC=CC=C3)C(C)=O

InChI

InChIKey=WNWZKKBGFYKSGA-QVIHXGFCSA-N
InChI=1S/C26H27ClN4O8S/c1-15(32)25(26(33)28-18-12-20(36-2)17(27)11-21(18)37-3)30-29-19-13-23(39-5)24(14-22(19)38-4)40(34,35)31-16-9-7-6-8-10-16/h6-14,25,31H,1-5H3,(H,28,33)/b30-29+

HIDE SMILES / InChI

Molecular Formula C26H27ClN4O8S
Molecular Weight 591.033
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
8ZNH60AHS0
Record Status Validated (UNII)
Record Version