| Stereochemistry | ACHIRAL |
| Molecular Formula | C20H14N4O7S2.Ca |
| Molecular Weight | 526.556 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].CC1=NN(C(O)=C1\N=N\C2=CC=C3C=CC=CC3=C2S([O-])(=O)=O)C4=CC=CC(=C4)S([O-])(=O)=O
InChI
InChIKey=OJRRGTHULIWMSL-QUABFQRHSA-L
InChI=1S/C20H16N4O7S2.Ca/c1-12-18(20(25)24(23-12)14-6-4-7-15(11-14)32(26,27)28)22-21-17-10-9-13-5-2-3-8-16(13)19(17)33(29,30)31;/h2-11,25H,1H3,(H,26,27,28)(H,29,30,31);/q;+2/p-2/b22-21+;
| Molecular Formula | C20H14N4O7S2 |
| Molecular Weight | 486.478 |
| Charge | -2 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | Ca |
| Molecular Weight | 40.078 |
| Charge | 2 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |