Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C17H13ClN4O7S2.Ca |
| Molecular Weight | 524.969 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
| Stereo Comments | Assumed racemic |
SHOW SMILES / InChI
SMILES
[Ca++].CC1=NN(C(=O)C1\N=N\C2=C(C=C(C)C(Cl)=C2)S([O-])(=O)=O)C3=CC(=CC=C3)S([O-])(=O)=O
InChI
InChIKey=IAOFMMGWUKSXJG-RZLHGTIFSA-L
InChI=1S/C17H15ClN4O7S2.Ca/c1-9-6-15(31(27,28)29)14(8-13(9)18)19-20-16-10(2)21-22(17(16)23)11-4-3-5-12(7-11)30(24,25)26;/h3-8,16H,1-2H3,(H,24,25,26)(H,27,28,29);/q;+2/p-2/b20-19+;
Approval Year
SUBSTANCE RECORD
![Structure of ALTERNATIVE DEFINITION for [PIGMENT YELLOW 191]](/img/7a23dccd-5196-4c0d-9283-65a268e061f3.svg "Structure of ALTERNATIVE DEFINITION for [PIGMENT YELLOW 191]")