| Stereochemistry | ACHIRAL |
| Molecular Formula | 2C13H29N3.C8H6O4 |
| Molecular Weight | 620.9098 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=CC=C(C=C1)C(O)=O.CCCCCCCCCCCCNC(N)=N.CCCCCCCCCCCCNC(N)=N
InChI
InChIKey=PHXJHTRGDGMVKR-UHFFFAOYSA-N
InChI=1S/2C13H29N3.C8H6O4/c2*1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;9-7(10)5-1-2-6(4-3-5)8(11)12/h2*2-12H2,1H3,(H4,14,15,16);1-4H,(H,9,10)(H,11,12)
| Molecular Formula | C13H29N3 |
| Molecular Weight | 227.3895 |
| Charge | 0 |
| Count |
MOL RATIO
2 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C8H6O4 |
| Molecular Weight | 166.1308 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
